4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-methyl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

C21H21N7O — CID 58274479

IUPAC4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-methyl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(NC2=NCC(C3CC3)=C2)nc(NCc2cc(-c3ccccn3)no2)n1
InChIInChI=1S/C21H21N7O/c1-13-8-20(26-19-9-15(11-23-19)14-5-6-14)27-21(25-13)24-12-16-10-18(28-29-16)17-4-2-3-7-22-17/h2-4,7-10,14H,5-6,11-12H2,1H3,(H2,23,24,25,26,27)
InChIKeyZUQMBTLZIMCKOT-UHFFFAOYSA-N
MW387.45 g/mol
LogP3.61
Rot. Bonds6

About 4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-methyl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-methyl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 58274479) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-methyl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-methyl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID58274479
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-methyl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(NC2=NCC(C3CC3)=C2)nc(NCc2cc(-c3ccccn3)no2)n1
InChIInChI=1S/C21H21N7O/c1-13-8-20(26-19-9-15(11-23-19)14-5-6-14)27-21(25-13)24-12-16-10-18(28-29-16)17-4-2-3-7-22-17/h2-4,7-10,14H,5-6,11-12H2,1H3,(H2,23,24,25,26,27)
InChIKeyZUQMBTLZIMCKOT-UHFFFAOYSA-N
XLogP3.61
TPSA101.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-methyl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-(3-cyclopropyl-2H-pyrrol-5-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 58274348
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
1-[6-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyrimidin-4-yl]-4-(diethylamino)butan-1-one
CID 58274395
4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-N-(1H-indol-4-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 159916560
4-pyridin-2-yl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine
CID 72844380
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
2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
CID 24776024
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
6-methyl-N-pyridin-2-yl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 15978940
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
6-N-[3-(diethylamino)propyl]-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yl-2H-pyrrol-5-yl)pyrimidine-2,4,6-triamine
CID 58274283
[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-(3-cyclopropyl-2H-pyrrol-5-yl)-6-methyl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-methyl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 58274479) is 4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-methyl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-methyl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-methyl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is Cc1cc(NC2=NCC(C3CC3)=C2)nc(NCc2cc(-c3ccccn3)no2)n1.
What is the InChIKey of 4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-methyl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is ZUQMBTLZIMCKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-13-8-20(26-19-9-15(11-23-19)14-5-6-14)27-21(25-13)24-12-16-10-18(28-29-16)17-4-2-3-7-22-17/h2-4,7-10,14H,5-6,11-12H2,1H3,(H2,23,24,25,26,27).
What are the key properties of 4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-methyl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-methyl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 387.45 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-methyl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 58274479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).