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

C22H25N7O2 — CID 24775638

IUPAC4-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
SMILESCOc1ccc(CCc2cc(Nc3ccnc(NCc4cc(C)no4)n3)n[nH]2)c(C)c1
InChIInChI=1S/C22H25N7O2/c1-14-10-18(30-3)7-5-16(14)4-6-17-12-21(28-27-17)25-20-8-9-23-22(26-20)24-13-19-11-15(2)29-31-19/h5,7-12H,4,6,13H2,1-3H3,(H3,23,24,25,26,27,28)
InChIKeySFEGRZASBQSEKS-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.95
Rot. Bonds9

About 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

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 (PubChem CID 24775638) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID24775638
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name4-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
SMILESCOc1ccc(CCc2cc(Nc3ccnc(NCc4cc(C)no4)n3)n[nH]2)c(C)c1
InChIInChI=1S/C22H25N7O2/c1-14-10-18(30-3)7-5-16(14)4-6-17-12-21(28-27-17)25-20-8-9-23-22(26-20)24-13-19-11-15(2)29-31-19/h5,7-12H,4,6,13H2,1-3H3,(H3,23,24,25,26,27,28)
InChIKeySFEGRZASBQSEKS-UHFFFAOYSA-N
XLogP3.95
TPSA113.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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-[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
N-methyl-3-[2-[3-[[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrimidin-4-yl]amino]-1H-pyrazol-5-yl]ethyl]benzamide
CID 68875184
4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 24774914
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-methyl-1H-pyrazol-3-yl)-2-N-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-diamine
CID 141196960
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
5-[2-[3-[[2-[methyl-(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-4-yl]amino]-1H-pyrazol-5-yl]ethyl]benzene-1,3-diol
CID 69312457
3-[[5-[[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrimidin-4-yl]amino]-1H-pyrazol-3-yl]oxymethyl]benzonitrile
CID 24774992
3-[[5-[[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrimidin-4-yl]amino]-1H-pyrazol-3-yl]oxymethyl]benzonitrile;hydrochloride
CID 69312485
4-N-(4-methoxy-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80824739
2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 166627552

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(CCc2cc(Nc3ccnc(NCc4cc(C)no4)n3)n[nH]2)c(C)c1.
What is the InChIKey of 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?
The InChIKey is SFEGRZASBQSEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-14-10-18(30-3)7-5-16(14)4-6-17-12-21(28-27-17)25-20-8-9-23-22(26-20)24-13-19-11-15(2)29-31-19/h5,7-12H,4,6,13H2,1-3H3,(H3,23,24,25,26,27,28).
What are the key properties of 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?
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 has a molecular weight of 419.49 g/mol, XLogP of 3.95, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 24775638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).