4-chloro-5-methyl-2-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine

C14H22ClN3O — CID 80972729

IUPAC4-chloro-5-methyl-2-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine
SMILESCCCc1nc(Cl)c(C)c(OCCN2CCCC2)n1
InChIInChI=1S/C14H22ClN3O/c1-3-6-12-16-13(15)11(2)14(17-12)19-10-9-18-7-4-5-8-18/h3-10H2,1-2H3
InChIKeyXGEJUTJTKOYFBT-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.87
Rot. Bonds6

About 4-chloro-5-methyl-2-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine

4-chloro-5-methyl-2-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine (PubChem CID 80972729) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-2-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine
PubChem CID80972729
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name4-chloro-5-methyl-2-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine
SMILESCCCc1nc(Cl)c(C)c(OCCN2CCCC2)n1
InChIInChI=1S/C14H22ClN3O/c1-3-6-12-16-13(15)11(2)14(17-12)19-10-9-18-7-4-5-8-18/h3-10H2,1-2H3
InChIKeyXGEJUTJTKOYFBT-UHFFFAOYSA-N
XLogP2.87
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-cyclopropyl-5-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine
CID 80974516
4-chloro-5-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propylpyrimidine
CID 112587573
4-chloro-5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 80972973
4-chloro-5-methyl-2-propyl-6-(3-pyridin-4-ylpropoxy)pyrimidine
CID 80974467
N-ethyl-2,5-dimethyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine
CID 80871549
4-chloro-6-[(2-chlorophenyl)methoxy]-5-methyl-2-propylpyrimidine
CID 80973545
4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methyl-2-propylpyrimidine
CID 81346219
4-chloro-5-methyl-6-(oxolan-3-ylmethoxy)-2-propylpyrimidine
CID 80973930
[2-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]hydrazine
CID 80947584
4-but-3-yn-2-yloxy-6-chloro-5-methyl-2-propylpyrimidine
CID 106794814
4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]-2-propylpyrimidine
CID 80973302
6-chloro-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpyrimidin-4-amine
CID 106028323

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine?
The IUPAC name of 4-chloro-5-methyl-2-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine (CID 80972729) is 4-chloro-5-methyl-2-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-2-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine?
The canonical SMILES for 4-chloro-5-methyl-2-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine is CCCc1nc(Cl)c(C)c(OCCN2CCCC2)n1.
What is the InChIKey of 4-chloro-5-methyl-2-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine?
The InChIKey is XGEJUTJTKOYFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-3-6-12-16-13(15)11(2)14(17-12)19-10-9-18-7-4-5-8-18/h3-10H2,1-2H3.
What are the key properties of 4-chloro-5-methyl-2-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine?
4-chloro-5-methyl-2-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine has a molecular weight of 283.80 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine is sourced from PubChem (CID 80972729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).