4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine

C24H25FN8O2 — CID 59757938

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine
SMILESFc1ccc(-c2cc(CNc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCOCC4)n3)on2)cc1
InChIInChI=1S/C24H25FN8O2/c25-17-5-3-16(4-6-17)20-11-18(35-32-20)14-26-24-28-21(13-23(29-24)33-7-9-34-10-8-33)27-22-12-19(30-31-22)15-1-2-15/h3-6,11-13,15H,1-2,7-10,14H2,(H3,26,27,28,29,30,31)
InChIKeyIBCOVVVQDXUYRL-UHFFFAOYSA-N
MW476.52 g/mol
LogP4.06
Rot. Bonds8

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine (PubChem CID 59757938) has the molecular formula C24H25FN8O2 and a molecular weight of 476.52 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine
PubChem CID59757938
Molecular FormulaC24H25FN8O2
Molecular Weight476.52 g/mol
Exact Mass476.21
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine
SMILESFc1ccc(-c2cc(CNc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCOCC4)n3)on2)cc1
InChIInChI=1S/C24H25FN8O2/c25-17-5-3-16(4-6-17)20-11-18(35-32-20)14-26-24-28-21(13-23(29-24)33-7-9-34-10-8-33)27-22-12-19(30-31-22)15-1-2-15/h3-6,11-13,15H,1-2,7-10,14H2,(H3,26,27,28,29,30,31)
InChIKeyIBCOVVVQDXUYRL-UHFFFAOYSA-N
XLogP4.06
TPSA117.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.52
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine
CID 71058316
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine
CID 59758109
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-N-(2-piperidin-1-ylethyl)pyrimidine-2,4,6-triamine
CID 59757969
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine
CID 59758110
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(1-methylpiperidin-4-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 59758090
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(1-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 59758036
6-(4-methylpiperazin-1-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 59757779
2-N-[[3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylpyrimidine-2,4-diamine
CID 59758180
6-morpholin-4-yl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yl-2H-pyrrol-5-yl)pyrimidine-2,4-diamine
CID 58274343
methane;6-[(3S)-3-methylpiperazin-1-yl]-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 161020140
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 11588399
[5-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 59758000

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine (CID 59757938) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine is Fc1ccc(-c2cc(CNc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCOCC4)n3)on2)cc1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine?
The InChIKey is IBCOVVVQDXUYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN8O2/c25-17-5-3-16(4-6-17)20-11-18(35-32-20)14-26-24-28-21(13-23(29-24)33-7-9-34-10-8-33)27-22-12-19(30-31-22)15-1-2-15/h3-6,11-13,15H,1-2,7-10,14H2,(H3,26,27,28,29,30,31).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine has a molecular weight of 476.52 g/mol, XLogP of 4.06, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 59757938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).