2-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-4-amine

C20H19N5O — CID 7692538

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-4-amine
SMILESCc1cc(C)n(-c2nc(NCc3ccco3)cc(-c3ccccc3)n2)n1
InChIInChI=1S/C20H19N5O/c1-14-11-15(2)25(24-14)20-22-18(16-7-4-3-5-8-16)12-19(23-20)21-13-17-9-6-10-26-17/h3-12H,13H2,1-2H3,(H,21,22,23)
InChIKeyHGWXKKLFOIUMJH-UHFFFAOYSA-N
MW345.41 g/mol
LogP4.15
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-4-amine

2-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-4-amine (PubChem CID 7692538) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-4-amine
PubChem CID7692538
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-4-amine
SMILESCc1cc(C)n(-c2nc(NCc3ccco3)cc(-c3ccccc3)n2)n1
InChIInChI=1S/C20H19N5O/c1-14-11-15(2)25(24-14)20-22-18(16-7-4-3-5-8-16)12-19(23-20)21-13-17-9-6-10-26-17/h3-12H,13H2,1-2H3,(H,21,22,23)
InChIKeyHGWXKKLFOIUMJH-UHFFFAOYSA-N
XLogP4.15
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N2-(4-Fluorophenyl)-N4-(furan-2-ylmethyl)quinazoline-2,4-diamine hydrochloride
CID 2908985
CID 2910633
CID 2910633
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl)-2-(4-methylpiperazin-1-yl)acetamide
CID 24768401
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 24768404
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 24768414
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 24768415
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-{4-[(dimethylamino)methyl]piperidin-1-yl}acetamide
CID 24768418
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-acetylpiperazin-1-yl)acetamide
CID 24768419
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(morpholin-4-yl)acetamide
CID 24768420
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(1,4-oxazepan-4-yl)acetamide
CID 24768421
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methoxypiperidin-1-yl)acetamide
CID 24768422
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(1-methylpiperidin-4-yl)acetamide
CID 24768423

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-4-amine (CID 7692538) is 2-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-4-amine is Cc1cc(C)n(-c2nc(NCc3ccco3)cc(-c3ccccc3)n2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-4-amine?
The InChIKey is HGWXKKLFOIUMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-14-11-15(2)25(24-14)20-22-18(16-7-4-3-5-8-16)12-19(23-20)21-13-17-9-6-10-26-17/h3-12H,13H2,1-2H3,(H,21,22,23).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-4-amine?
2-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-4-amine has a molecular weight of 345.41 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 7692538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).