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

C21H23N7O4 — CID 25186143

IUPAC4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(COc2cc(Nc3ccnc(NCc4cc(C)on4)n3)[nH]n2)cc(OC)c1
InChIInChI=1S/C21H23N7O4/c1-13-6-15(28-32-13)11-23-21-22-5-4-18(25-21)24-19-10-20(27-26-19)31-12-14-7-16(29-2)9-17(8-14)30-3/h4-10H,11-12H2,1-3H3,(H3,22,23,24,25,26,27)
InChIKeyDJOUMKMQTKRFOE-UHFFFAOYSA-N
MW437.46 g/mol
LogP3.45
Rot. Bonds10

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

4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 25186143) has the molecular formula C21H23N7O4 and a molecular weight of 437.46 g/mol. Its IUPAC name is 4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
PubChem CID25186143
Molecular FormulaC21H23N7O4
Molecular Weight437.46 g/mol
Exact Mass437.18
IUPAC Name4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(COc2cc(Nc3ccnc(NCc4cc(C)on4)n3)[nH]n2)cc(OC)c1
InChIInChI=1S/C21H23N7O4/c1-13-6-15(28-32-13)11-23-21-22-5-4-18(25-21)24-19-10-20(27-26-19)31-12-14-7-16(29-2)9-17(8-14)30-3/h4-10H,11-12H2,1-3H3,(H3,22,23,24,25,26,27)
InChIKeyDJOUMKMQTKRFOE-UHFFFAOYSA-N
XLogP3.45
TPSA132.24 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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

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Related Compounds

4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 42602991
3-[[5-[[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrimidin-4-yl]amino]-1H-pyrazol-3-yl]oxymethyl]benzonitrile;hydrochloride
CID 69312485
3-[[5-[[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrimidin-4-yl]amino]-1H-pyrazol-3-yl]oxymethyl]benzonitrile
CID 24774992
2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)(1,3-15N2)pyrimidine-2,4-di(15N2)amine
CID 68937421
4-N-(3-bromo-4-methylphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892590
4-N-(4-bromophenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892589
2-N-[(4-methoxyphenyl)methyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890248
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-(2-chloro-4,6-dimethylphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892586
4-N-(2,4-dimethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892600
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-[(4-methoxyphenyl)methyl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112892381

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine (CID 25186143) is 4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine is COc1cc(COc2cc(Nc3ccnc(NCc4cc(C)on4)n3)[nH]n2)cc(OC)c1.
What is the InChIKey of 4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is DJOUMKMQTKRFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O4/c1-13-6-15(28-32-13)11-23-21-22-5-4-18(25-21)24-19-10-20(27-26-19)31-12-14-7-16(29-2)9-17(8-14)30-3/h4-10H,11-12H2,1-3H3,(H3,22,23,24,25,26,27).
What are the key properties of 4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine?
4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 437.46 g/mol, XLogP of 3.45, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 25186143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).