5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine

C11H17ClN4 — CID 105369328

IUPAC5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
SMILESCN1CCCC(CNc2ncncc2Cl)C1
InChIInChI=1S/C11H17ClN4/c1-16-4-2-3-9(7-16)5-14-11-10(12)6-13-8-15-11/h6,8-9H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyLPBZIGOGMWQVSE-UHFFFAOYSA-N
MW240.74 g/mol
LogP1.88
Rot. Bonds3

About 5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine

5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine (PubChem CID 105369328) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
PubChem CID105369328
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
SMILESCN1CCCC(CNc2ncncc2Cl)C1
InChIInChI=1S/C11H17ClN4/c1-16-4-2-3-9(7-16)5-14-11-10(12)6-13-8-15-11/h6,8-9H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyLPBZIGOGMWQVSE-UHFFFAOYSA-N
XLogP1.88
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 79632916
5-chloro-2-hydrazinyl-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 80903527
3-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-4-amine
CID 79840711
3,5,6-trichloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine
CID 102750847
5-chloro-N-[(4-chlorocyclohexyl)methyl]pyrimidin-4-amine
CID 106126003
3,5-dichloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 60855947
3,5-dichloro-6-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,6-diamine
CID 102757522
5-chloro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 105369322
3,6-dichloro-N-[(1-methylpiperidin-3-yl)methyl]-1,2,4-triazin-5-amine
CID 81035942
3-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,5-diamine
CID 55080788
5-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine
CID 66279532
5-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine
CID 79718992

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine (CID 105369328) is 5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine is CN1CCCC(CNc2ncncc2Cl)C1.
What is the InChIKey of 5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is LPBZIGOGMWQVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-16-4-2-3-9(7-16)5-14-11-10(12)6-13-8-15-11/h6,8-9H,2-5,7H2,1H3,(H,13,14,15).
What are the key properties of 5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine?
5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 240.74 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 105369328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).