5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine

C11H17ClN4 — CID 106642815

IUPAC5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
SMILESCN(CC1CCCNC1)c1ncncc1Cl
InChIInChI=1S/C11H17ClN4/c1-16(7-9-3-2-4-13-5-9)11-10(12)6-14-8-15-11/h6,8-9,13H,2-5,7H2,1H3
InChIKeyIAKOYSAIWRYKIC-UHFFFAOYSA-N
MW240.74 g/mol
LogP1.57
Rot. Bonds3

About 5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine

5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 106642815) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
PubChem CID106642815
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
SMILESCN(CC1CCCNC1)c1ncncc1Cl
InChIInChI=1S/C11H17ClN4/c1-16(7-9-3-2-4-13-5-9)11-10(12)6-14-8-15-11/h6,8-9,13H,2-5,7H2,1H3
InChIKeyIAKOYSAIWRYKIC-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-iodo-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 106642624
5-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 106642794
5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride
CID 71642119
5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 75511399
6-chloro-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine
CID 97164469
3-chloro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97164579
3-chloro-N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97164580
N,5-dimethyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 106642612
N-methyl-N-(piperidin-3-ylmethyl)pyrazin-2-amine;hydrochloride
CID 71642141
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 107124553
N-methyl-N-(pyrrolidin-3-ylmethyl)-1,2,4-triazin-6-amine
CID 112709657
5-bromo-N-methyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796664

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine (CID 106642815) is 5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine is CN(CC1CCCNC1)c1ncncc1Cl.
What is the InChIKey of 5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is IAKOYSAIWRYKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-16(7-9-3-2-4-13-5-9)11-10(12)6-14-8-15-11/h6,8-9,13H,2-5,7H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine?
5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 240.74 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 106642815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).