4-chloro-6-methyl-5-(1-methylcyclopropyl)pyrimidine;ethane

C11H17ClN2 — CID 176962352

IUPAC4-chloro-6-methyl-5-(1-methylcyclopropyl)pyrimidine;ethane
SMILESCC.Cc1ncnc(Cl)c1C1(C)CC1
InChIInChI=1S/C9H11ClN2.C2H6/c1-6-7(9(2)3-4-9)8(10)12-5-11-6;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeyDXHDCQKYXCRBQQ-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.52
Rot. Bonds1

About 4-chloro-6-methyl-5-(1-methylcyclopropyl)pyrimidine;ethane

4-chloro-6-methyl-5-(1-methylcyclopropyl)pyrimidine;ethane (PubChem CID 176962352) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 4-chloro-6-methyl-5-(1-methylcyclopropyl)pyrimidine;ethane.

Molecular Properties

Compound Name4-chloro-6-methyl-5-(1-methylcyclopropyl)pyrimidine;ethane
PubChem CID176962352
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name4-chloro-6-methyl-5-(1-methylcyclopropyl)pyrimidine;ethane
SMILESCC.Cc1ncnc(Cl)c1C1(C)CC1
InChIInChI=1S/C9H11ClN2.C2H6/c1-6-7(9(2)3-4-9)8(10)12-5-11-6;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeyDXHDCQKYXCRBQQ-UHFFFAOYSA-N
XLogP3.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chloro-6-(1,1-dimethylethyl)pyrimidine
CID 4289243
4-Chloro-5,6,7,8-tetrahydroquinazoline
CID 12582969
4-chloro-5H,6H,7H-cyclopenta[d]pyrimidine
CID 13312449
4,5-Dichloro-6-isopropylpyrimidine
CID 19371731
4-chloro-6-methyl-5H,6H,7H,8H-pyrido(4,3-d)pyrimidine
CID 21958871
5-Bromo-4-chloro-6-cyclopropylpyrimidine
CID 24903882
4-Chloro-5-ethyl-6-methylpyrimidine
CID 61252025
4-Chloro-5-isopropyl-6-methylpyrimidine
CID 62915901
4-chloro-5H,6H,7H,8H,9H-cyclohepta[d]pyrimidine
CID 63350898
4-Chloro-6-(cyclopropylmethyl)pyrimidine
CID 121205640
4-Chloro-6-(1-methylcyclopropyl)pyrimidine
CID 165991315
5-Bromo-4-chloro-6-(cyclopropylmethyl)pyrimidine
CID 177798059

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-5-(1-methylcyclopropyl)pyrimidine;ethane?
The IUPAC name of 4-chloro-6-methyl-5-(1-methylcyclopropyl)pyrimidine;ethane (CID 176962352) is 4-chloro-6-methyl-5-(1-methylcyclopropyl)pyrimidine;ethane.
What is the SMILES notation for 4-chloro-6-methyl-5-(1-methylcyclopropyl)pyrimidine;ethane?
The canonical SMILES for 4-chloro-6-methyl-5-(1-methylcyclopropyl)pyrimidine;ethane is CC.Cc1ncnc(Cl)c1C1(C)CC1.
What is the InChIKey of 4-chloro-6-methyl-5-(1-methylcyclopropyl)pyrimidine;ethane?
The InChIKey is DXHDCQKYXCRBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2.C2H6/c1-6-7(9(2)3-4-9)8(10)12-5-11-6;1-2/h5H,3-4H2,1-2H3;1-2H3.
What are the key properties of 4-chloro-6-methyl-5-(1-methylcyclopropyl)pyrimidine;ethane?
4-chloro-6-methyl-5-(1-methylcyclopropyl)pyrimidine;ethane has a molecular weight of 212.72 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-5-(1-methylcyclopropyl)pyrimidine;ethane is sourced from PubChem (CID 176962352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).