4-amino-1-(6-amino-5-chloropyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)propyl]piperidine-4-carboxamide

C19H24Cl2N6O — CID 118053775

IUPAC4-amino-1-(6-amino-5-chloropyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)propyl]piperidine-4-carboxamide
SMILESCC[C@H](NC(=O)C1(N)CCN(c2ncnc(N)c2Cl)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H24Cl2N6O/c1-2-14(12-3-5-13(20)6-4-12)26-18(28)19(23)7-9-27(10-8-19)17-15(21)16(22)24-11-25-17/h3-6,11,14H,2,7-10,23H2,1H3,(H,26,28)(H2,22,24,25)/t14-/m0/s1
InChIKeyZILSVLFZLUCZNK-AWEZNQCLSA-N
MW423.35 g/mol
LogP2.93
Rot. Bonds5

About 4-amino-1-(6-amino-5-chloropyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)propyl]piperidine-4-carboxamide

4-amino-1-(6-amino-5-chloropyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)propyl]piperidine-4-carboxamide (PubChem CID 118053775) has the molecular formula C19H24Cl2N6O and a molecular weight of 423.35 g/mol. Its IUPAC name is 4-amino-1-(6-amino-5-chloropyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-amino-1-(6-amino-5-chloropyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)propyl]piperidine-4-carboxamide
PubChem CID118053775
Molecular FormulaC19H24Cl2N6O
Molecular Weight423.35 g/mol
Exact Mass422.14
IUPAC Name4-amino-1-(6-amino-5-chloropyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)propyl]piperidine-4-carboxamide
SMILESCC[C@H](NC(=O)C1(N)CCN(c2ncnc(N)c2Cl)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H24Cl2N6O/c1-2-14(12-3-5-13(20)6-4-12)26-18(28)19(23)7-9-27(10-8-19)17-15(21)16(22)24-11-25-17/h3-6,11,14H,2,7-10,23H2,1H3,(H,26,28)(H2,22,24,25)/t14-/m0/s1
InChIKeyZILSVLFZLUCZNK-AWEZNQCLSA-N
XLogP2.93
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.35
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-(6-amino-5-chloropyrimidin-4-yl)-N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]piperidine-4-carboxamide
CID 123291872
4-amino-1-(6-amino-5-chloropyrimidin-4-yl)-N-[(1S)-1-(4-fluorophenyl)-3-hydroxypropyl]piperidine-4-carboxamide;methane
CID 158240461
4-amino-6-[4-amino-4-[[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]carbamoyl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 89446730
4-amino-6-[4-amino-4-[[3-hydroxy-1-(4-methylphenyl)propyl]carbamoyl]piperidin-1-yl]pyrimidine-5-carboxylic acid
CID 175015358
4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 160523142
4-amino-1-(6-amino-5-cyanopyrimidin-4-yl)-N-[(1S)-3-hydroxy-1-phenylpropyl]piperidine-4-carboxamide
CID 89446847
1-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]cyclopentane-1-carboxamide
CID 115434829
4-amino-N-[3-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 68731425
5-chloro-6-(4,4-dimethylpiperidin-1-yl)pyrimidin-4-amine
CID 106811990
(2S,3S,4S,5R,6R)-6-[(3S)-3-[[4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]-3-(4-chlorophenyl)propoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 172866506
4-amino-1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 89442517
4-amino-N-[(4-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;ethane;ethanol
CID 178015306

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(6-amino-5-chloropyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)propyl]piperidine-4-carboxamide?
The IUPAC name of 4-amino-1-(6-amino-5-chloropyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)propyl]piperidine-4-carboxamide (CID 118053775) is 4-amino-1-(6-amino-5-chloropyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-amino-1-(6-amino-5-chloropyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 4-amino-1-(6-amino-5-chloropyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)propyl]piperidine-4-carboxamide is CC[C@H](NC(=O)C1(N)CCN(c2ncnc(N)c2Cl)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-amino-1-(6-amino-5-chloropyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)propyl]piperidine-4-carboxamide?
The InChIKey is ZILSVLFZLUCZNK-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24Cl2N6O/c1-2-14(12-3-5-13(20)6-4-12)26-18(28)19(23)7-9-27(10-8-19)17-15(21)16(22)24-11-25-17/h3-6,11,14H,2,7-10,23H2,1H3,(H,26,28)(H2,22,24,25)/t14-/m0/s1.
What are the key properties of 4-amino-1-(6-amino-5-chloropyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)propyl]piperidine-4-carboxamide?
4-amino-1-(6-amino-5-chloropyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)propyl]piperidine-4-carboxamide has a molecular weight of 423.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(6-amino-5-chloropyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 118053775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).