6-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

C21H23N7O — CID 11531217

IUPAC6-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(C(C)C)[nH]n2)nc(NCc2cc(-c3ccccc3)no2)n1
InChIInChI=1S/C21H23N7O/c1-13(2)17-11-20(27-26-17)24-19-9-14(3)23-21(25-19)22-12-16-10-18(28-29-16)15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3,(H3,22,23,24,25,26,27)
InChIKeyWUZKQYLYKZSUOA-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.64
Rot. Bonds7

About 6-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

6-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 11531217) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 6-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID11531217
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name6-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(C(C)C)[nH]n2)nc(NCc2cc(-c3ccccc3)no2)n1
InChIInChI=1S/C21H23N7O/c1-13(2)17-11-20(27-26-17)24-19-9-14(3)23-21(25-19)22-12-16-10-18(28-29-16)15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3,(H3,22,23,24,25,26,27)
InChIKeyWUZKQYLYKZSUOA-UHFFFAOYSA-N
XLogP4.64
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-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 11531217) is 6-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is Cc1cc(Nc2cc(C(C)C)[nH]n2)nc(NCc2cc(-c3ccccc3)no2)n1.
What is the InChIKey of 6-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is WUZKQYLYKZSUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-13(2)17-11-20(27-26-17)24-19-9-14(3)23-21(25-19)22-12-16-10-18(28-29-16)15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3,(H3,22,23,24,25,26,27).
What are the key properties of 6-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
6-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 389.46 g/mol, XLogP of 4.64, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 11531217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).