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

C20H25N7O — CID 59648399

IUPAC2-N-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(C3CCCCC3)no2)n1
InChIInChI=1S/C20H25N7O/c1-2-4-13(5-3-1)17-10-15(28-27-17)12-22-20-21-9-8-18(24-20)23-19-11-16(25-26-19)14-6-7-14/h8-11,13-14H,1-7,12H2,(H3,21,22,23,24,25,26)
InChIKeyMLOQUQJOZFEOBG-UHFFFAOYSA-N
MW379.47 g/mol
LogP4.47
Rot. Bonds7

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

2-N-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 59648399) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 2-N-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID59648399
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name2-N-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(C3CCCCC3)no2)n1
InChIInChI=1S/C20H25N7O/c1-2-4-13(5-3-1)17-10-15(28-27-17)12-22-20-21-9-8-18(24-20)23-19-11-16(25-26-19)14-6-7-14/h8-11,13-14H,1-7,12H2,(H3,21,22,23,24,25,26)
InChIKeyMLOQUQJOZFEOBG-UHFFFAOYSA-N
XLogP4.47
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (CID 59648399) is 2-N-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is c1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(C3CCCCC3)no2)n1.
What is the InChIKey of 2-N-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is MLOQUQJOZFEOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-2-4-13(5-3-1)17-10-15(28-27-17)12-22-20-21-9-8-18(24-20)23-19-11-16(25-26-19)14-6-7-14/h8-11,13-14H,1-7,12H2,(H3,21,22,23,24,25,26).
What are the key properties of 2-N-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
2-N-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 379.47 g/mol, XLogP of 4.47, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 59648399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).