4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide

C18H23FN6O — CID 171689724

IUPAC4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide
SMILESCN(C)c1cc(NC2CCN(C(=O)Nc3ccc(F)cc3)CC2)ncn1
InChIInChI=1S/C18H23FN6O/c1-24(2)17-11-16(20-12-21-17)22-15-7-9-25(10-8-15)18(26)23-14-5-3-13(19)4-6-14/h3-6,11-12,15H,7-10H2,1-2H3,(H,23,26)(H,20,21,22)
InChIKeyWGUUVUZCQPRUQF-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.79
Rot. Bonds4

About 4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide

4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide (PubChem CID 171689724) has the molecular formula C18H23FN6O and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide
PubChem CID171689724
Molecular FormulaC18H23FN6O
Molecular Weight358.42 g/mol
Exact Mass358.19
IUPAC Name4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide
SMILESCN(C)c1cc(NC2CCN(C(=O)Nc3ccc(F)cc3)CC2)ncn1
InChIInChI=1S/C18H23FN6O/c1-24(2)17-11-16(20-12-21-17)22-15-7-9-25(10-8-15)18(26)23-14-5-3-13(19)4-6-14/h3-6,11-12,15H,7-10H2,1-2H3,(H,23,26)(H,20,21,22)
InChIKeyWGUUVUZCQPRUQF-UHFFFAOYSA-N
XLogP2.79
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-(4-methylcyclohexyl)methanone
CID 126888429
(2-chlorophenyl)-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 171334208
3-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126888381
3H-benzimidazol-5-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 126888383
[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 126888363
6-N-cyclopentyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281906
1-(azepan-1-yl)-2-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 146079543
1,3-benzothiazol-2-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 126888348
N-[(4-fluorophenyl)methyl]-4-[(6-methoxypyrimidin-4-yl)amino]piperidine-1-carboxamide
CID 171336207
N-(4-fluorophenyl)-4-(propylamino)piperidine-1-carboxamide
CID 60819629
4-amino-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 16773171
N-(4-fluorophenyl)-4-sulfanylpiperidine-1-carboxamide
CID 123534187

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide (CID 171689724) is 4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide is CN(C)c1cc(NC2CCN(C(=O)Nc3ccc(F)cc3)CC2)ncn1.
What is the InChIKey of 4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is WGUUVUZCQPRUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN6O/c1-24(2)17-11-16(20-12-21-17)22-15-7-9-25(10-8-15)18(26)23-14-5-3-13(19)4-6-14/h3-6,11-12,15H,7-10H2,1-2H3,(H,23,26)(H,20,21,22).
What are the key properties of 4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide?
4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 171689724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).