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

C18H25N7O — CID 59648407

IUPAC6-methyl-2-N-[(3-propan-2-yl-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(C(C)C)no2)n1
InChIInChI=1S/C18H25N7O/c1-10(2)14-8-17(24-23-14)21-16-6-12(5)20-18(22-16)19-9-13-7-15(11(3)4)25-26-13/h6-8,10-11H,9H2,1-5H3,(H3,19,20,21,22,23,24)
InChIKeyFDPXBGWCRAXUTA-UHFFFAOYSA-N
MW355.45 g/mol
LogP4.10
Rot. Bonds7

About 6-methyl-2-N-[(3-propan-2-yl-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-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 59648407) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is 6-methyl-2-N-[(3-propan-2-yl-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-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID59648407
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Name6-methyl-2-N-[(3-propan-2-yl-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(C(C)C)no2)n1
InChIInChI=1S/C18H25N7O/c1-10(2)14-8-17(24-23-14)21-16-6-12(5)20-18(22-16)19-9-13-7-15(11(3)4)25-26-13/h6-8,10-11H,9H2,1-5H3,(H3,19,20,21,22,23,24)
InChIKeyFDPXBGWCRAXUTA-UHFFFAOYSA-N
XLogP4.10
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.10
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-propan-2-yl-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-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (CID 59648407) is 6-methyl-2-N-[(3-propan-2-yl-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-propan-2-yl-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-propan-2-yl-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(C(C)C)no2)n1.
What is the InChIKey of 6-methyl-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is FDPXBGWCRAXUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-10(2)14-8-17(24-23-14)21-16-6-12(5)20-18(22-16)19-9-13-7-15(11(3)4)25-26-13/h6-8,10-11H,9H2,1-5H3,(H3,19,20,21,22,23,24).
What are the key properties of 6-methyl-2-N-[(3-propan-2-yl-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-propan-2-yl-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 355.45 g/mol, XLogP of 4.10, 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-propan-2-yl-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 59648407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).