5-chloro-4-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine

C13H21ClN4 — CID 80797010

IUPAC5-chloro-4-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(N2CCCC2CC)n1
InChIInChI=1S/C13H21ClN4/c1-3-7-15-13-16-9-11(14)12(17-13)18-8-5-6-10(18)4-2/h9-10H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyCBCVZUCCNJPBKL-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.33
Rot. Bonds5

About 5-chloro-4-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine

5-chloro-4-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine (PubChem CID 80797010) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 5-chloro-4-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
PubChem CID80797010
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name5-chloro-4-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(N2CCCC2CC)n1
InChIInChI=1S/C13H21ClN4/c1-3-7-15-13-16-9-11(14)12(17-13)18-8-5-6-10(18)4-2/h9-10H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyCBCVZUCCNJPBKL-UHFFFAOYSA-N
XLogP3.33
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(2-ethylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 104692996
5-chloro-N-ethyl-4-(2-ethylazepan-1-yl)pyrimidin-2-amine
CID 104693085
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 80765390
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide
CID 80784866
5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764211
5-chloro-4-(3-ethyl-4-methylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 80833787
5-chloro-4-(4-propan-2-ylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80823869
4-(2-ethylpyrrolidin-1-yl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103325400
5-chloro-4-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80797839
4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80797987
5-chloro-4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80782441
5-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80848714

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine (CID 80797010) is 5-chloro-4-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine is CCCNc1ncc(Cl)c(N2CCCC2CC)n1.
What is the InChIKey of 5-chloro-4-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine?
The InChIKey is CBCVZUCCNJPBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-3-7-15-13-16-9-11(14)12(17-13)18-8-5-6-10(18)4-2/h9-10H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 5-chloro-4-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine?
5-chloro-4-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine has a molecular weight of 268.79 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80797010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).