4-chloro-2-(2,2-dimethylcyclopropyl)-6-(2-methylpropyl)pyrimidine

C13H19ClN2 — CID 107925449

IUPAC4-chloro-2-(2,2-dimethylcyclopropyl)-6-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1cc(Cl)nc(C2CC2(C)C)n1
InChIInChI=1S/C13H19ClN2/c1-8(2)5-9-6-11(14)16-12(15-9)10-7-13(10,3)4/h6,8,10H,5,7H2,1-4H3
InChIKeyHNLPBFPMFXWUQW-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.84
Rot. Bonds3

About 4-chloro-2-(2,2-dimethylcyclopropyl)-6-(2-methylpropyl)pyrimidine

4-chloro-2-(2,2-dimethylcyclopropyl)-6-(2-methylpropyl)pyrimidine (PubChem CID 107925449) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 4-chloro-2-(2,2-dimethylcyclopropyl)-6-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,2-dimethylcyclopropyl)-6-(2-methylpropyl)pyrimidine
PubChem CID107925449
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name4-chloro-2-(2,2-dimethylcyclopropyl)-6-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1cc(Cl)nc(C2CC2(C)C)n1
InChIInChI=1S/C13H19ClN2/c1-8(2)5-9-6-11(14)16-12(15-9)10-7-13(10,3)4/h6,8,10H,5,7H2,1-4H3
InChIKeyHNLPBFPMFXWUQW-UHFFFAOYSA-N
XLogP3.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-cyclooctyl-6-(2-methylpropyl)pyrimidine
CID 80603227
4-chloro-2-(3-methyl-1,4-dithian-2-yl)-6-(2-methylpropyl)pyrimidine
CID 115385600
4-chloro-2-(chloromethyl)-6-(2-methylpropyl)pyrimidine
CID 79421610
4-chloro-2-(2,2-dimethylcyclopropyl)-6-phenylpyrimidine
CID 107925396
4-chloro-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidine
CID 81313415
4-chloro-2-(2,2-dimethylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 107925460
4-chloro-2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)pyrimidine
CID 116746376
4-chloro-2-(4-chloro-2-methylphenyl)-6-(2-methylpropyl)pyrimidine
CID 114076086
2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-(2-methylpropyl)pyrimidine
CID 102842725
2-(4-bromo-3-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine
CID 81436026
2-cyclopropyl-6-(2-methylpropyl)pyrimidine-4-carbonitrile
CID 121206817
4,6-dichloro-2-(2,2-dimethylcyclopropyl)-5-fluoropyrimidine
CID 107925452

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,2-dimethylcyclopropyl)-6-(2-methylpropyl)pyrimidine?
The IUPAC name of 4-chloro-2-(2,2-dimethylcyclopropyl)-6-(2-methylpropyl)pyrimidine (CID 107925449) is 4-chloro-2-(2,2-dimethylcyclopropyl)-6-(2-methylpropyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(2,2-dimethylcyclopropyl)-6-(2-methylpropyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(2,2-dimethylcyclopropyl)-6-(2-methylpropyl)pyrimidine is CC(C)Cc1cc(Cl)nc(C2CC2(C)C)n1.
What is the InChIKey of 4-chloro-2-(2,2-dimethylcyclopropyl)-6-(2-methylpropyl)pyrimidine?
The InChIKey is HNLPBFPMFXWUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-8(2)5-9-6-11(14)16-12(15-9)10-7-13(10,3)4/h6,8,10H,5,7H2,1-4H3.
What are the key properties of 4-chloro-2-(2,2-dimethylcyclopropyl)-6-(2-methylpropyl)pyrimidine?
4-chloro-2-(2,2-dimethylcyclopropyl)-6-(2-methylpropyl)pyrimidine has a molecular weight of 238.76 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,2-dimethylcyclopropyl)-6-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 107925449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).