4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine

C21H21N7O2 — CID 59758109

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(-c2cc(CNc3nccc(Nc4cc(C5CC5)[nH]n4)n3)on2)cc1
InChIInChI=1S/C21H21N7O2/c1-29-15-6-4-14(5-7-15)18-10-16(30-28-18)12-23-21-22-9-8-19(25-21)24-20-11-17(26-27-20)13-2-3-13/h4-11,13H,2-3,12H2,1H3,(H3,22,23,24,25,26,27)
InChIKeyIGKUXVKPULGJGR-UHFFFAOYSA-N
MW403.45 g/mol
LogP4.10
Rot. Bonds8

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine (PubChem CID 59758109) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine
PubChem CID59758109
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(-c2cc(CNc3nccc(Nc4cc(C5CC5)[nH]n4)n3)on2)cc1
InChIInChI=1S/C21H21N7O2/c1-29-15-6-4-14(5-7-15)18-10-16(30-28-18)12-23-21-22-9-8-19(25-21)24-20-11-17(26-27-20)13-2-3-13/h4-11,13H,2-3,12H2,1H3,(H3,22,23,24,25,26,27)
InChIKeyIGKUXVKPULGJGR-UHFFFAOYSA-N
XLogP4.10
TPSA113.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine with MolForge

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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-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 59757938
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-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-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 59758036
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
4-N-[5-[2-(4-methoxy-2-methylphenyl)ethyl]-1H-pyrazol-3-yl]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 24775638
4-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-2-N-[(3-pyrimidin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 23642169
1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(4-methoxyphenyl)urea
CID 118888864
5-[[[4-[[5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]methyl]-1,2-oxazole-3-carboxamide
CID 24775734
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-methyl-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 11588399

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 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) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine is COc1ccc(-c2cc(CNc3nccc(Nc4cc(C5CC5)[nH]n4)n3)on2)cc1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine?
The InChIKey is IGKUXVKPULGJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-29-15-6-4-14(5-7-15)18-10-16(30-28-18)12-23-21-22-9-8-19(25-21)24-20-11-17(26-27-20)13-2-3-13/h4-11,13H,2-3,12H2,1H3,(H3,22,23,24,25,26,27).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine has a molecular weight of 403.45 g/mol, XLogP of 4.10, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 59758109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).