4-(1-phenylpyrazol-4-yl)-N-(1-pyridin-4-ylpropan-2-yl)pyrimidin-2-amine

C21H20N6 — CID 46992450

IUPAC4-(1-phenylpyrazol-4-yl)-N-(1-pyridin-4-ylpropan-2-yl)pyrimidin-2-amine
SMILESCC(Cc1ccncc1)Nc1nccc(-c2cnn(-c3ccccc3)c2)n1
InChIInChI=1S/C21H20N6/c1-16(13-17-7-10-22-11-8-17)25-21-23-12-9-20(26-21)18-14-24-27(15-18)19-5-3-2-4-6-19/h2-12,14-16H,13H2,1H3,(H,23,25,26)
InChIKeyLIIDXQQXTMWPKH-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.77
Rot. Bonds6

About 4-(1-phenylpyrazol-4-yl)-N-(1-pyridin-4-ylpropan-2-yl)pyrimidin-2-amine

4-(1-phenylpyrazol-4-yl)-N-(1-pyridin-4-ylpropan-2-yl)pyrimidin-2-amine (PubChem CID 46992450) has the molecular formula C21H20N6 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-(1-phenylpyrazol-4-yl)-N-(1-pyridin-4-ylpropan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-phenylpyrazol-4-yl)-N-(1-pyridin-4-ylpropan-2-yl)pyrimidin-2-amine
PubChem CID46992450
Molecular FormulaC21H20N6
Molecular Weight356.43 g/mol
Exact Mass356.17
IUPAC Name4-(1-phenylpyrazol-4-yl)-N-(1-pyridin-4-ylpropan-2-yl)pyrimidin-2-amine
SMILESCC(Cc1ccncc1)Nc1nccc(-c2cnn(-c3ccccc3)c2)n1
InChIInChI=1S/C21H20N6/c1-16(13-17-7-10-22-11-8-17)25-21-23-12-9-20(26-21)18-14-24-27(15-18)19-5-3-2-4-6-19/h2-12,14-16H,13H2,1H3,(H,23,25,26)
InChIKeyLIIDXQQXTMWPKH-UHFFFAOYSA-N
XLogP3.77
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1-pyridin-4-ylpropan-2-yl)pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 154891214
4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 31105252
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-(1-phenylpyrazol-4-yl)pyrimidin-2-amine
CID 46996131
4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine
CID 31161035
4-(1-phenylpyrazol-4-yl)-2-pyridin-2-ylpyrimidine
CID 67958989
N-(4-phenylbutan-2-yl)-4-(4-phenylphenyl)pyrimidin-2-amine
CID 171989250
N-[6-[2-(1-phenylpropan-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
CID 91265039
(2S)-2-[[4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidin-2-yl]amino]-2-phenylethanol
CID 171517385
4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-(3-pyridin-2-ylpropyl)pyrimidin-2-amine
CID 31224515
N-(1-phenylpropan-2-yl)-4-propoxypyrimidin-2-amine
CID 115975024
4-pyridin-4-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-2-amine
CID 72859116
N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 96570859

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylpyrazol-4-yl)-N-(1-pyridin-4-ylpropan-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-(1-phenylpyrazol-4-yl)-N-(1-pyridin-4-ylpropan-2-yl)pyrimidin-2-amine (CID 46992450) is 4-(1-phenylpyrazol-4-yl)-N-(1-pyridin-4-ylpropan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1-phenylpyrazol-4-yl)-N-(1-pyridin-4-ylpropan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(1-phenylpyrazol-4-yl)-N-(1-pyridin-4-ylpropan-2-yl)pyrimidin-2-amine is CC(Cc1ccncc1)Nc1nccc(-c2cnn(-c3ccccc3)c2)n1.
What is the InChIKey of 4-(1-phenylpyrazol-4-yl)-N-(1-pyridin-4-ylpropan-2-yl)pyrimidin-2-amine?
The InChIKey is LIIDXQQXTMWPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6/c1-16(13-17-7-10-22-11-8-17)25-21-23-12-9-20(26-21)18-14-24-27(15-18)19-5-3-2-4-6-19/h2-12,14-16H,13H2,1H3,(H,23,25,26).
What are the key properties of 4-(1-phenylpyrazol-4-yl)-N-(1-pyridin-4-ylpropan-2-yl)pyrimidin-2-amine?
4-(1-phenylpyrazol-4-yl)-N-(1-pyridin-4-ylpropan-2-yl)pyrimidin-2-amine has a molecular weight of 356.43 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylpyrazol-4-yl)-N-(1-pyridin-4-ylpropan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 46992450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).