2-chloro-4,6-di(propan-2-yl)pyrimidine

C10H15ClN2 — CID 126971308

IUPAC2-chloro-4,6-di(propan-2-yl)pyrimidine
SMILESCC(C)c1cc(C(C)C)nc(Cl)n1
InChIInChI=1S/C10H15ClN2/c1-6(2)8-5-9(7(3)4)13-10(11)12-8/h5-7H,1-4H3
InChIKeyJZDNSTZVIHGIPT-UHFFFAOYSA-N
MW198.70 g/mol
LogP3.38
Rot. Bonds2

About 2-chloro-4,6-di(propan-2-yl)pyrimidine

2-chloro-4,6-di(propan-2-yl)pyrimidine (PubChem CID 126971308) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 2-chloro-4,6-di(propan-2-yl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4,6-di(propan-2-yl)pyrimidine
PubChem CID126971308
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name2-chloro-4,6-di(propan-2-yl)pyrimidine
SMILESCC(C)c1cc(C(C)C)nc(Cl)n1
InChIInChI=1S/C10H15ClN2/c1-6(2)8-5-9(7(3)4)13-10(11)12-8/h5-7H,1-4H3
InChIKeyJZDNSTZVIHGIPT-UHFFFAOYSA-N
XLogP3.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Cyclopropyl-6-methyl-2-pyrimidinamine
CID 13672658
2-Chloro-4,6-dimethylpyrimidine
CID 20550
4-Cycloheptyl-6-propylpyrimidine-2-carbonitrile
CID 11694425
4-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamine
CID 691237
4-Cyclohexyl-6-propylpyrimidine-2-carbonitrile
CID 11622731
4-Cyclooctyl-6-propylpyrimidine-2-carbonitrile
CID 46881498
2-Chloro-4-ethyl-6-methylpyrimidine
CID 593377
2,4,6-Tris(1,1-dimethylethyl)pyrimidine
CID 3440137
4-Methyl-pentan-2-one O-(4,6-dimethyl-pyrimidin-2-yl)-oxime
CID 5417820
4-Tert-butyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-amine
CID 25128825
4-Ethyl-6-methylpyrimidin-2-amine
CID 819560
4-Chloro-6-(1-methylethyl)-2-pyrimidinamine
CID 2773619

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-di(propan-2-yl)pyrimidine?
The IUPAC name of 2-chloro-4,6-di(propan-2-yl)pyrimidine (CID 126971308) is 2-chloro-4,6-di(propan-2-yl)pyrimidine.
What is the SMILES notation for 2-chloro-4,6-di(propan-2-yl)pyrimidine?
The canonical SMILES for 2-chloro-4,6-di(propan-2-yl)pyrimidine is CC(C)c1cc(C(C)C)nc(Cl)n1.
What is the InChIKey of 2-chloro-4,6-di(propan-2-yl)pyrimidine?
The InChIKey is JZDNSTZVIHGIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-6(2)8-5-9(7(3)4)13-10(11)12-8/h5-7H,1-4H3.
What are the key properties of 2-chloro-4,6-di(propan-2-yl)pyrimidine?
2-chloro-4,6-di(propan-2-yl)pyrimidine has a molecular weight of 198.70 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-di(propan-2-yl)pyrimidine is sourced from PubChem (CID 126971308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).