4-(1-methylpyrazol-4-yl)-N-phenylpyrimidin-2-amine

C14H13N5 — CID 104609504

IUPAC4-(1-methylpyrazol-4-yl)-N-phenylpyrimidin-2-amine
SMILESCn1cc(-c2ccnc(Nc3ccccc3)n2)cn1
InChIInChI=1S/C14H13N5/c1-19-10-11(9-16-19)13-7-8-15-14(18-13)17-12-5-3-2-4-6-12/h2-10H,1H3,(H,15,17,18)
InChIKeyFJTIIDOBKJDDLG-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.62
Rot. Bonds3

About 4-(1-methylpyrazol-4-yl)-N-phenylpyrimidin-2-amine

4-(1-methylpyrazol-4-yl)-N-phenylpyrimidin-2-amine (PubChem CID 104609504) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-N-phenylpyrimidin-2-amine
PubChem CID104609504
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name4-(1-methylpyrazol-4-yl)-N-phenylpyrimidin-2-amine
SMILESCn1cc(-c2ccnc(Nc3ccccc3)n2)cn1
InChIInChI=1S/C14H13N5/c1-19-10-11(9-16-19)13-7-8-15-14(18-13)17-12-5-3-2-4-6-12/h2-10H,1H3,(H,15,17,18)
InChIKeyFJTIIDOBKJDDLG-UHFFFAOYSA-N
XLogP2.62
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 129086023
4-(2-hydrazinyl-4-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 118209525
N-(1-methylpyrazol-4-yl)-4-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine
CID 150455915
4-naphthalen-2-yl-N-phenylpyrimidin-2-amine
CID 66493679
2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoic acid
CID 150793941
4-(6-amino-5-fluoro-3-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 151424564
N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 96570859
4-[1-(1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 151093664
N-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid
CID 14346982
N-[(1-benzylpyrrolidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 45230985
N-(3-methylphenyl)-4-phenylpyrimidin-2-amine
CID 20772097
N-phenyl-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 57446828

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-N-phenylpyrimidin-2-amine (CID 104609504) is 4-(1-methylpyrazol-4-yl)-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-N-phenylpyrimidin-2-amine is Cn1cc(-c2ccnc(Nc3ccccc3)n2)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-N-phenylpyrimidin-2-amine?
The InChIKey is FJTIIDOBKJDDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-19-10-11(9-16-19)13-7-8-15-14(18-13)17-12-5-3-2-4-6-12/h2-10H,1H3,(H,15,17,18).
What are the key properties of 4-(1-methylpyrazol-4-yl)-N-phenylpyrimidin-2-amine?
4-(1-methylpyrazol-4-yl)-N-phenylpyrimidin-2-amine has a molecular weight of 251.29 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 104609504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).