5-chloro-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine

C13H21ClN4 — CID 106642347

IUPAC5-chloro-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine
SMILESCCCN(CC1CCCCN1)c1ncc(Cl)cn1
InChIInChI=1S/C13H21ClN4/c1-2-7-18(10-12-5-3-4-6-15-12)13-16-8-11(14)9-17-13/h8-9,12,15H,2-7,10H2,1H3
InChIKeyIKLBPAAFYMCODA-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.49
Rot. Bonds5

About 5-chloro-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine

5-chloro-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine (PubChem CID 106642347) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 5-chloro-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine
PubChem CID106642347
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name5-chloro-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine
SMILESCCCN(CC1CCCCN1)c1ncc(Cl)cn1
InChIInChI=1S/C13H21ClN4/c1-2-7-18(10-12-5-3-4-6-15-12)13-16-8-11(14)9-17-13/h8-9,12,15H,2-7,10H2,1H3
InChIKeyIKLBPAAFYMCODA-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-cyclopropyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 106640995
4,6-dimethyl-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine
CID 106642566
N-(piperidin-2-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 106642542
1-methyl-N-(piperidin-2-ylmethyl)-N-propylimidazol-2-amine
CID 106642484
5-iodo-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-4-amine
CID 106642309
5,6-dimethyl-N-(piperidin-2-ylmethyl)-N-propyl-1,2,4-triazin-3-amine
CID 106642559
5-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine
CID 106642340
5-[piperidin-2-ylmethyl(propyl)amino]pyridine-2-carbonitrile
CID 106642589
5-bromo-4-methoxy-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106998327
5,6-dimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrazin-2-amine
CID 106619724
4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805325
6-chloro-N-propyl-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106619859

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine (CID 106642347) is 5-chloro-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine is CCCN(CC1CCCCN1)c1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine?
The InChIKey is IKLBPAAFYMCODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-2-7-18(10-12-5-3-4-6-15-12)13-16-8-11(14)9-17-13/h8-9,12,15H,2-7,10H2,1H3.
What are the key properties of 5-chloro-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine?
5-chloro-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine has a molecular weight of 268.79 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 106642347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).