5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine

C13H21ClN4 — CID 139211024

IUPAC5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine
SMILESCCCN1CCC(N(C)c2ncc(Cl)cn2)CC1
InChIInChI=1S/C13H21ClN4/c1-3-6-18-7-4-12(5-8-18)17(2)13-15-9-11(14)10-16-13/h9-10,12H,3-8H2,1-2H3
InChIKeyMTNXRLQUSMOFBU-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.44
Rot. Bonds4

About 5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine

5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine (PubChem CID 139211024) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine
PubChem CID139211024
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine
SMILESCCCN1CCC(N(C)c2ncc(Cl)cn2)CC1
InChIInChI=1S/C13H21ClN4/c1-3-6-18-7-4-12(5-8-18)17(2)13-15-9-11(14)10-16-13/h9-10,12H,3-8H2,1-2H3
InChIKeyMTNXRLQUSMOFBU-UHFFFAOYSA-N
XLogP2.44
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-2-(piperidin-1-yl)pyrimidine
CID 817346
2-Chloro-5-fluoro-4-piperidin-1-ylpyrimidine
CID 2338458
5-Chloro-2-(piperazin-1-yl)pyrimidine dihydrochloride
CID 86277751
4-chloro-N-cyclohexyl-N-methylpyrimidin-2-amine
CID 132353709
N-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine
CID 51594519
2-N,2-N,4-N-trimethyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 75421951
5-{[(1-Isopropylpiperidin-4-YL)(methyl)amino]methyl}-N-methylpyrimidin-2-amine
CID 95857554
1-Isopropyl-N-[(2-methoxypyrimidin-5-YL)methyl]-N-methylpiperidin-4-amine
CID 95857556
5-Chloro-1-methylpyrimidin-1-ium
CID 172444422
5-Fluoro-2-(4-isopropylpiperazin-1-yl)pyrimidine
CID 92130787
5-Chloro-2-dimethylaminopyrimidine
CID 593768
2-Tert-butyl-5-chloropyrimidine
CID 14641437

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine (CID 139211024) is 5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine is CCCN1CCC(N(C)c2ncc(Cl)cn2)CC1.
What is the InChIKey of 5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine?
The InChIKey is MTNXRLQUSMOFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-3-6-18-7-4-12(5-8-18)17(2)13-15-9-11(14)10-16-13/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine?
5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine has a molecular weight of 268.79 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 139211024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).