4-chloro-2-cyclopropyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidine

C13H18ClN3 — CID 80971295

IUPAC4-chloro-2-cyclopropyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1N1CCC(C)C1
InChIInChI=1S/C13H18ClN3/c1-8-5-6-17(7-8)13-9(2)11(14)15-12(16-13)10-3-4-10/h8,10H,3-7H2,1-2H3
InChIKeyJKDPSNWDPSJSLP-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.16
Rot. Bonds2

About 4-chloro-2-cyclopropyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidine

4-chloro-2-cyclopropyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidine (PubChem CID 80971295) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidine
PubChem CID80971295
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name4-chloro-2-cyclopropyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1N1CCC(C)C1
InChIInChI=1S/C13H18ClN3/c1-8-5-6-17(7-8)13-9(2)11(14)15-12(16-13)10-3-4-10/h8,10H,3-7H2,1-2H3
InChIKeyJKDPSNWDPSJSLP-UHFFFAOYSA-N
XLogP3.16
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-cyclopropyl-5-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
CID 80972003
4-chloro-5-methyl-6-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine
CID 80971294
4-chloro-2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidine
CID 80972359
4-chloro-2-cyclopropyl-5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine
CID 80971748
2-[1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 80980160
4-chloro-2-cyclopropyl-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine
CID 135154119
1-[4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 80979741
2-tert-butyl-4-chloro-5-methyl-6-(4-methylpiperidin-1-yl)pyrimidine
CID 80970942
4-chloro-2-cyclopropyl-5-methyl-6-(4-methylpyrazol-1-yl)pyrimidine
CID 80978776
8-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 80972608
4-chloro-2-cyclopropyl-6-(4,5-dimethylimidazol-1-yl)-5-methylpyrimidine
CID 80978334
4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-5-ethyl-2-methylmorpholine
CID 80970469

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidine (CID 80971295) is 4-chloro-2-cyclopropyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidine is Cc1c(Cl)nc(C2CC2)nc1N1CCC(C)C1.
What is the InChIKey of 4-chloro-2-cyclopropyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidine?
The InChIKey is JKDPSNWDPSJSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c1-8-5-6-17(7-8)13-9(2)11(14)15-12(16-13)10-3-4-10/h8,10H,3-7H2,1-2H3.
What are the key properties of 4-chloro-2-cyclopropyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidine?
4-chloro-2-cyclopropyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidine has a molecular weight of 251.76 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidine is sourced from PubChem (CID 80971295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).