6-chloro-2-propyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine

C13H21ClN4 — CID 80939981

IUPAC6-chloro-2-propyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(NCCN2CCCC2)n1
InChIInChI=1S/C13H21ClN4/c1-2-5-12-16-11(14)10-13(17-12)15-6-9-18-7-3-4-8-18/h10H,2-9H2,1H3,(H,15,16,17)
InChIKeyNOAOCWZPBHQUMQ-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.59
Rot. Bonds6

About 6-chloro-2-propyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine

6-chloro-2-propyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine (PubChem CID 80939981) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 6-chloro-2-propyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-propyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
PubChem CID80939981
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name6-chloro-2-propyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(NCCN2CCCC2)n1
InChIInChI=1S/C13H21ClN4/c1-2-5-12-16-11(14)10-13(17-12)15-6-9-18-7-3-4-8-18/h10H,2-9H2,1H3,(H,15,16,17)
InChIKeyNOAOCWZPBHQUMQ-UHFFFAOYSA-N
XLogP2.59
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidin-4-amine
CID 80940890
6-chloro-2-ethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 80935880
2-ethyl-6-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80934686
N-[2-(azepan-1-yl)ethyl]-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
CID 106194008
3-[(6-chloro-2-propylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80938791
N-(6-chloro-2-propylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 80940887
6-chloro-N-(cyclohexylmethyl)-2-propylpyrimidin-4-amine
CID 80940255
3-[(6-chloro-2-propylpyrimidin-4-yl)amino]propane-1-sulfonamide
CID 80939830
3,5-dichloro-2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine
CID 102757956
2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718349
tert-butyl N-[2-[(6-chloro-2-propylpyrimidin-4-yl)amino]ethyl]carbamate
CID 114518283
6-N-ethyl-2-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,6-diamine
CID 78990309

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-propyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-propyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine (CID 80939981) is 6-chloro-2-propyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-propyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-propyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine is CCCc1nc(Cl)cc(NCCN2CCCC2)n1.
What is the InChIKey of 6-chloro-2-propyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine?
The InChIKey is NOAOCWZPBHQUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-2-5-12-16-11(14)10-13(17-12)15-6-9-18-7-3-4-8-18/h10H,2-9H2,1H3,(H,15,16,17).
What are the key properties of 6-chloro-2-propyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine?
6-chloro-2-propyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine has a molecular weight of 268.79 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-propyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 80939981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).