1-(2,6-dichloropyrimidin-4-yl)cyclodecane-1-carbonitrile

C15H19Cl2N3 — CID 134170538

IUPAC1-(2,6-dichloropyrimidin-4-yl)cyclodecane-1-carbonitrile
SMILESN#CC1(c2cc(Cl)nc(Cl)n2)CCCCCCCCC1
InChIInChI=1S/C15H19Cl2N3/c16-13-10-12(19-14(17)20-13)15(11-18)8-6-4-2-1-3-5-7-9-15/h10H,1-9H2
InChIKeyCTRMHZJOUXNWHR-UHFFFAOYSA-N
MW312.24 g/mol
LogP5.07
Rot. Bonds1

About 1-(2,6-dichloropyrimidin-4-yl)cyclodecane-1-carbonitrile

1-(2,6-dichloropyrimidin-4-yl)cyclodecane-1-carbonitrile (PubChem CID 134170538) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is 1-(2,6-dichloropyrimidin-4-yl)cyclodecane-1-carbonitrile.

Molecular Properties

Compound Name1-(2,6-dichloropyrimidin-4-yl)cyclodecane-1-carbonitrile
PubChem CID134170538
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC Name1-(2,6-dichloropyrimidin-4-yl)cyclodecane-1-carbonitrile
SMILESN#CC1(c2cc(Cl)nc(Cl)n2)CCCCCCCCC1
InChIInChI=1S/C15H19Cl2N3/c16-13-10-12(19-14(17)20-13)15(11-18)8-6-4-2-1-3-5-7-9-15/h10H,1-9H2
InChIKeyCTRMHZJOUXNWHR-UHFFFAOYSA-N
XLogP5.07
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.24
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-6-[[(1Z)-1-[(Z)-ethylideneamino]buta-1,3-dienyl]amino]pyrimidin-4-yl]cyclooctane-1-carbonitrile;ethane
CID 144740164
2-chloro-6-(1-cyanocyclopropyl)pyridine-4-carboxylic acid
CID 166162271
1-(5-chloro-2-pyridinyl)cyclopentane-1-carbonitrile
CID 130544132
1-pyrimidin-4-ylcyclohexane-1-carbonitrile
CID 130544093
4-chloro-6-(1-methylcyclohexyl)pyrimidin-2-amine
CID 163247764
2,4,6-trichloropyrimidine
CID 158990073
1-(2,6-dichlorophenyl)cyclopentane-1-carbonitrile
CID 28937665
2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide
CID 60966983
1-pyridin-4-ylcyclohexane-1-carbonitrile
CID 22314789
1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile
CID 116890940
2,6-dichloro-N-(1-cyanocyclohexyl)-N-methylpyridine-4-carboxamide
CID 61215479
1-(2,4-difluorophenyl)cycloheptane-1-carbonitrile
CID 64560794

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloropyrimidin-4-yl)cyclodecane-1-carbonitrile?
The IUPAC name of 1-(2,6-dichloropyrimidin-4-yl)cyclodecane-1-carbonitrile (CID 134170538) is 1-(2,6-dichloropyrimidin-4-yl)cyclodecane-1-carbonitrile.
What is the SMILES notation for 1-(2,6-dichloropyrimidin-4-yl)cyclodecane-1-carbonitrile?
The canonical SMILES for 1-(2,6-dichloropyrimidin-4-yl)cyclodecane-1-carbonitrile is N#CC1(c2cc(Cl)nc(Cl)n2)CCCCCCCCC1.
What is the InChIKey of 1-(2,6-dichloropyrimidin-4-yl)cyclodecane-1-carbonitrile?
The InChIKey is CTRMHZJOUXNWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3/c16-13-10-12(19-14(17)20-13)15(11-18)8-6-4-2-1-3-5-7-9-15/h10H,1-9H2.
What are the key properties of 1-(2,6-dichloropyrimidin-4-yl)cyclodecane-1-carbonitrile?
1-(2,6-dichloropyrimidin-4-yl)cyclodecane-1-carbonitrile has a molecular weight of 312.24 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloropyrimidin-4-yl)cyclodecane-1-carbonitrile is sourced from PubChem (CID 134170538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).