6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine

C20H25N7 — CID 133330010

IUPAC6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine
SMILESCCc1cc(NC2CCCN(c3cnn(C)c3)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C20H25N7/c1-3-16-11-19(25-20(24-16)15-6-8-21-9-7-15)23-17-5-4-10-27(13-17)18-12-22-26(2)14-18/h6-9,11-12,14,17H,3-5,10,13H2,1-2H3,(H,23,24,25)
InChIKeyVZLRQDZTUVKWKK-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.92
Rot. Bonds5

About 6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine

6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 133330010) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is 6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID133330010
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Name6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine
SMILESCCc1cc(NC2CCCN(c3cnn(C)c3)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C20H25N7/c1-3-16-11-19(25-20(24-16)15-6-8-21-9-7-15)23-17-5-4-10-27(13-17)18-12-22-26(2)14-18/h6-9,11-12,14,17H,3-5,10,13H2,1-2H3,(H,23,24,25)
InChIKeyVZLRQDZTUVKWKK-UHFFFAOYSA-N
XLogP2.92
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N2-((1S)-1-(4-Fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N6-2-pyrazinyl-2,6-pyridinediamine
CID 46866319
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70984064
5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 146680833
5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 146681117
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
4-(5-chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(4-(dimethylamino)piperidin-1-yl)pyridin-2-yl)pyrimidin-2-amine
CID 49765254
Sutidiazine
CID 92045019
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
2,4-Disubstituted Pyrimidine 4b
CID 5329431
2,4-Disubstituted Pyrimidine 4c
CID 5329432
2,4-Disubstituted Pyrimidine 4e
CID 5329434

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine (CID 133330010) is 6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine is CCc1cc(NC2CCCN(c3cnn(C)c3)C2)nc(-c2ccncc2)n1.
What is the InChIKey of 6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is VZLRQDZTUVKWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7/c1-3-16-11-19(25-20(24-16)15-6-8-21-9-7-15)23-17-5-4-10-27(13-17)18-12-22-26(2)14-18/h6-9,11-12,14,17H,3-5,10,13H2,1-2H3,(H,23,24,25).
What are the key properties of 6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine?
6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 363.47 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 133330010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).