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

C25H29N7O2 — CID 58274343

IUPAC6-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
SMILESCC(C)C1=CC(Nc2cc(N3CCOCC3)nc(NCc3cc(-c4ccccc4)no3)n2)=NC1
InChIInChI=1S/C25H29N7O2/c1-17(2)19-12-22(26-15-19)28-23-14-24(32-8-10-33-11-9-32)30-25(29-23)27-16-20-13-21(31-34-20)18-6-4-3-5-7-18/h3-7,12-14,17H,8-11,15-16H2,1-2H3,(H2,26,27,28,29,30)
InChIKeyZNHYJIVDOGRZHY-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.99
Rot. Bonds7

About 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

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 (PubChem CID 58274343) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID58274343
Molecular FormulaC25H29N7O2
Molecular Weight459.55 g/mol
Exact Mass459.24
IUPAC Name6-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
SMILESCC(C)C1=CC(Nc2cc(N3CCOCC3)nc(NCc3cc(-c4ccccc4)no3)n2)=NC1
InChIInChI=1S/C25H29N7O2/c1-17(2)19-12-22(26-15-19)28-23-14-24(32-8-10-33-11-9-32)30-25(29-23)27-16-20-13-21(31-34-20)18-6-4-3-5-7-18/h3-7,12-14,17H,8-11,15-16H2,1-2H3,(H2,26,27,28,29,30)
InChIKeyZNHYJIVDOGRZHY-UHFFFAOYSA-N
XLogP3.99
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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
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-(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
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
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
6-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine
CID 59757794
N-[(4-chlorophenyl)methyl]-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935378
6-(1-methylpyrrolidin-3-yl)oxy-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 59757822
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
4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidin-2-amine
CID 112935363
6-morpholin-4-yl-2-phenyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 112880557

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C1=CC(Nc2cc(N3CCOCC3)nc(NCc3cc(-c4ccccc4)no3)n2)=NC1.
What is the InChIKey of 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?
The InChIKey is ZNHYJIVDOGRZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2/c1-17(2)19-12-22(26-15-19)28-23-14-24(32-8-10-33-11-9-32)30-25(29-23)27-16-20-13-21(31-34-20)18-6-4-3-5-7-18/h3-7,12-14,17H,8-11,15-16H2,1-2H3,(H2,26,27,28,29,30).
What are the key properties of 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?
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 has a molecular weight of 459.55 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58274343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).