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

C13H21ClN4O — CID 80782441

IUPAC5-chloro-4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(N2CCC(OC)CC2)n1
InChIInChI=1S/C13H21ClN4O/c1-3-6-15-13-16-9-11(14)12(17-13)18-7-4-10(19-2)5-8-18/h9-10H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyCVOXRVCUIFHPHW-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.57
Rot. Bonds5

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

5-chloro-4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine (PubChem CID 80782441) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 5-chloro-4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine
PubChem CID80782441
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name5-chloro-4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(N2CCC(OC)CC2)n1
InChIInChI=1S/C13H21ClN4O/c1-3-6-15-13-16-9-11(14)12(17-13)18-7-4-10(19-2)5-8-18/h9-10H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyCVOXRVCUIFHPHW-UHFFFAOYSA-N
XLogP2.57
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 103542000
5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764211
5-chloro-4-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80797839
5-chloro-4-(4-propan-2-ylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80823869
5-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80848714
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 80779212
4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80784615
5-chloro-4-(3-ethyl-4-methylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 80833787
5-chloro-4-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80797010
5-chloro-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-2-amine
CID 102746619
[4-[5-chloro-2-(propylamino)pyrimidin-4-yl]morpholin-2-yl]methanol
CID 81217444
5-chloro-4-(2-ethylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 104692996

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine (CID 80782441) is 5-chloro-4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine is CCCNc1ncc(Cl)c(N2CCC(OC)CC2)n1.
What is the InChIKey of 5-chloro-4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine?
The InChIKey is CVOXRVCUIFHPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-3-6-15-13-16-9-11(14)12(17-13)18-7-4-10(19-2)5-8-18/h9-10H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 5-chloro-4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine?
5-chloro-4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine has a molecular weight of 284.79 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80782441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).