6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-(3-fluorophenyl)pyrimidine-4-carboxamide

C17H21FN6O — CID 155089397

IUPAC6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-(3-fluorophenyl)pyrimidine-4-carboxamide
SMILESCC1(N)CCN(c2nc(N)c(-c3cccc(F)c3)c(C(N)=O)n2)CC1
InChIInChI=1S/C17H21FN6O/c1-17(21)5-7-24(8-6-17)16-22-13(15(20)25)12(14(19)23-16)10-3-2-4-11(18)9-10/h2-4,9H,5-8,21H2,1H3,(H2,20,25)(H2,19,22,23)
InChIKeyONKAWTQARQHIQO-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.28
Rot. Bonds3

About 6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-(3-fluorophenyl)pyrimidine-4-carboxamide

6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-(3-fluorophenyl)pyrimidine-4-carboxamide (PubChem CID 155089397) has the molecular formula C17H21FN6O and a molecular weight of 344.39 g/mol. Its IUPAC name is 6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-(3-fluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-(3-fluorophenyl)pyrimidine-4-carboxamide
PubChem CID155089397
Molecular FormulaC17H21FN6O
Molecular Weight344.39 g/mol
Exact Mass344.18
IUPAC Name6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-(3-fluorophenyl)pyrimidine-4-carboxamide
SMILESCC1(N)CCN(c2nc(N)c(-c3cccc(F)c3)c(C(N)=O)n2)CC1
InChIInChI=1S/C17H21FN6O/c1-17(21)5-7-24(8-6-17)16-22-13(15(20)25)12(14(19)23-16)10-3-2-4-11(18)9-10/h2-4,9H,5-8,21H2,1H3,(H2,20,25)(H2,19,22,23)
InChIKeyONKAWTQARQHIQO-UHFFFAOYSA-N
XLogP1.28
TPSA124.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Lasmiditan
CID 11610526
2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
CID 71541719
Pyrimidine-4-carboxamide, 60
CID 44520957
Pyrimidine-4-carboxamide, 62
CID 44520958
4-fluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide
CID 10308815
N-((cis)-4-(4-(dimethylamino)-6-methylpyrimidin-2-ylamino)cyclohexyl)-3,4-difluorobenzamide
CID 23027679
N-((cis)-4-(4-(dimethylamino)-5,6-dimethylpyrimidin-2-ylamino)cyclohexyl)-3,4-difluorobenzamide
CID 23027806
N-((cis)-4-(4-(dimethylamino)-6-methylpyrimidin-2-ylamino)cyclohexyl)-4-fluorobenzamide
CID 23027830
4-(benzhydrylamino)-2-piperazin-1-yl-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 25117612
2-(4-acetylpiperazin-1-yl)-4-[[(1R)-1-(4-methylphenyl)ethyl]amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 25121856
N-(((cis)-4-(4-(dimethylamino)-6-methylpyrimidin-2-ylamino)cyclohexyl)methyl)-3,4-difluorobenzamide
CID 45484984
2-(4-acetylpiperazin-1-yl)-4-(benzhydrylamino)-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57431796

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-(3-fluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-(3-fluorophenyl)pyrimidine-4-carboxamide (CID 155089397) is 6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-(3-fluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-(3-fluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-(3-fluorophenyl)pyrimidine-4-carboxamide is CC1(N)CCN(c2nc(N)c(-c3cccc(F)c3)c(C(N)=O)n2)CC1.
What is the InChIKey of 6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-(3-fluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is ONKAWTQARQHIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6O/c1-17(21)5-7-24(8-6-17)16-22-13(15(20)25)12(14(19)23-16)10-3-2-4-11(18)9-10/h2-4,9H,5-8,21H2,1H3,(H2,20,25)(H2,19,22,23).
What are the key properties of 6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-(3-fluorophenyl)pyrimidine-4-carboxamide?
6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-(3-fluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-(3-fluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 155089397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).