1-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide;dihydrochloride

C11H16Cl3N3O — CID 140760757

IUPAC1-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)C1(c2cc(Cl)ncn2)CCCCC1
InChIInChI=1S/C11H14ClN3O.2ClH/c12-9-6-8(14-7-15-9)11(10(13)16)4-2-1-3-5-11;;/h6-7H,1-5H2,(H2,13,16);2*1H
InChIKeyQPKFKDHPYHJRDT-UHFFFAOYSA-N
MW312.63 g/mol
LogP2.66
Rot. Bonds2

About 1-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide;dihydrochloride

1-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 140760757) has the molecular formula C11H16Cl3N3O and a molecular weight of 312.63 g/mol. Its IUPAC name is 1-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide;dihydrochloride
PubChem CID140760757
Molecular FormulaC11H16Cl3N3O
Molecular Weight312.63 g/mol
Exact Mass311.04
IUPAC Name1-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)C1(c2cc(Cl)ncn2)CCCCC1
InChIInChI=1S/C11H14ClN3O.2ClH/c12-9-6-8(14-7-15-9)11(10(13)16)4-2-1-3-5-11;;/h6-7H,1-5H2,(H2,13,16);2*1H
InChIKeyQPKFKDHPYHJRDT-UHFFFAOYSA-N
XLogP2.66
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.63
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(6-Chloro-5-propylpyrimidin-4-yl)-3-methylpentanamide
CID 87758792
4-(6-Chloropyrimidin-4-yl)-3,3-dimethylbutan-2-one
CID 121311880
4-Chloro-6-(1-methylcyclohexyl)pyrimidine
CID 140006180
1-(6-Chloropyrimidin-4-yl)cyclohexane-1-carboxamide
CID 140760758
1-[6-[2-(2,5-Dichloropyrimidin-4-yl)ethyl]cyclohexa-1,5-dien-1-yl]cyclopropane-1-carboxamide
CID 144572171
2-(6-Chloropyrimidin-4-yl)acetamide
CID 153920199
trans-(1S,2S)-2-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide
CID 170693969
1-(6-Chloropyrimidin-4-yl)cyclopropane-1-carboxamide
CID 171758525
(2S)-2-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide
CID 171758660
Ethane;2-methyl-2-(6-methylpyrimidin-4-yl)propanamide
CID 172609154
2-(6-Chloropyrimidin-4-yl)-3-[(4-methylpiperazin-1-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 176066066
2-(6-Chloropyrimidin-4-yl)propanediamide
CID 100761666

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide;dihydrochloride (CID 140760757) is 1-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide;dihydrochloride is Cl.Cl.NC(=O)C1(c2cc(Cl)ncn2)CCCCC1.
What is the InChIKey of 1-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is QPKFKDHPYHJRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O.2ClH/c12-9-6-8(14-7-15-9)11(10(13)16)4-2-1-3-5-11;;/h6-7H,1-5H2,(H2,13,16);2*1H.
What are the key properties of 1-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide;dihydrochloride?
1-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 312.63 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 140760757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).