(2-chlorophenyl)-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone

C18H22ClN5O — CID 171334208

IUPAC(2-chlorophenyl)-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
SMILESCN(C)c1cc(NC2CCN(C(=O)c3ccccc3Cl)CC2)ncn1
InChIInChI=1S/C18H22ClN5O/c1-23(2)17-11-16(20-12-21-17)22-13-7-9-24(10-8-13)18(25)14-5-3-4-6-15(14)19/h3-6,11-13H,7-10H2,1-2H3,(H,20,21,22)
InChIKeyCYLJQXLUNOHREG-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.91
Rot. Bonds4

About (2-chlorophenyl)-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone

(2-chlorophenyl)-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone (PubChem CID 171334208) has the molecular formula C18H22ClN5O and a molecular weight of 359.86 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
PubChem CID171334208
Molecular FormulaC18H22ClN5O
Molecular Weight359.86 g/mol
Exact Mass359.15
IUPAC Name(2-chlorophenyl)-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
SMILESCN(C)c1cc(NC2CCN(C(=O)c3ccccc3Cl)CC2)ncn1
InChIInChI=1S/C18H22ClN5O/c1-23(2)17-11-16(20-12-21-17)22-13-7-9-24(10-8-13)18(25)14-5-3-4-6-15(14)19/h3-6,11-13H,7-10H2,1-2H3,(H,20,21,22)
InChIKeyCYLJQXLUNOHREG-UHFFFAOYSA-N
XLogP2.91
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126888381
1,3-benzothiazol-2-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 126888348
[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-(4-methylcyclohexyl)methanone
CID 126888429
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-[1-(benzenesulfonyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 171689746
4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 171689724
(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728656
1-(azepan-1-yl)-2-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 146079543
6-N-cyclopentyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281906
(2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 90380560
[3-(dimethylamino)phenyl]-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 171334095

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone (CID 171334208) is (2-chlorophenyl)-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone is CN(C)c1cc(NC2CCN(C(=O)c3ccccc3Cl)CC2)ncn1.
What is the InChIKey of (2-chlorophenyl)-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The InChIKey is CYLJQXLUNOHREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O/c1-23(2)17-11-16(20-12-21-17)22-13-7-9-24(10-8-13)18(25)14-5-3-4-6-15(14)19/h3-6,11-13H,7-10H2,1-2H3,(H,20,21,22).
What are the key properties of (2-chlorophenyl)-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
(2-chlorophenyl)-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone has a molecular weight of 359.86 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 171334208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).