6-chloro-N-(piperidin-2-ylmethyl)pyrimidin-4-amine

C10H15ClN4 — CID 71639840

IUPAC6-chloro-N-(piperidin-2-ylmethyl)pyrimidin-4-amine
SMILESClc1cc(NCC2CCCCN2)ncn1
InChIInChI=1S/C10H15ClN4/c11-9-5-10(15-7-14-9)13-6-8-3-1-2-4-12-8/h5,7-8,12H,1-4,6H2,(H,13,14,15)
InChIKeyPMVAXZNCNWPQJM-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.68
Rot. Bonds3

About 6-chloro-N-(piperidin-2-ylmethyl)pyrimidin-4-amine

6-chloro-N-(piperidin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 71639840) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 6-chloro-N-(piperidin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(piperidin-2-ylmethyl)pyrimidin-4-amine
PubChem CID71639840
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name6-chloro-N-(piperidin-2-ylmethyl)pyrimidin-4-amine
SMILESClc1cc(NCC2CCCCN2)ncn1
InChIInChI=1S/C10H15ClN4/c11-9-5-10(15-7-14-9)13-6-8-3-1-2-4-12-8/h5,7-8,12H,1-4,6H2,(H,13,14,15)
InChIKeyPMVAXZNCNWPQJM-UHFFFAOYSA-N
XLogP1.68
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-amine
CID 86318064
6-methoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 66569768
4-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrimidine
CID 86321830
4-tert-butyl-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 126546174
2,4,6-trichloro-N-(piperidin-2-ylmethyl)aniline
CID 106633086
4-chloro-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 97164036
6-chloro-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71643190
6-ethoxy-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 63591675
4-chloro-6-methyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 71638479
N-(piperidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65276095
2-chloro-6-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 97162852
2,6-dichloro-N-(piperidin-2-ylmethyl)aniline
CID 106634051

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(piperidin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(piperidin-2-ylmethyl)pyrimidin-4-amine (CID 71639840) is 6-chloro-N-(piperidin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(piperidin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(piperidin-2-ylmethyl)pyrimidin-4-amine is Clc1cc(NCC2CCCCN2)ncn1.
What is the InChIKey of 6-chloro-N-(piperidin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is PMVAXZNCNWPQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4/c11-9-5-10(15-7-14-9)13-6-8-3-1-2-4-12-8/h5,7-8,12H,1-4,6H2,(H,13,14,15).
What are the key properties of 6-chloro-N-(piperidin-2-ylmethyl)pyrimidin-4-amine?
6-chloro-N-(piperidin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 226.71 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(piperidin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 71639840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).