N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylcycloheptanamine

C14H22ClN3 — CID 80664231

IUPACN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylcycloheptanamine
SMILESCc1cc(Cl)nc(CN(C)C2CCCCCC2)n1
InChIInChI=1S/C14H22ClN3/c1-11-9-13(15)17-14(16-11)10-18(2)12-7-5-3-4-6-8-12/h9,12H,3-8,10H2,1-2H3
InChIKeyVJOQGBPPSOIHLO-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.59
Rot. Bonds3

About N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylcycloheptanamine

N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylcycloheptanamine (PubChem CID 80664231) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylcycloheptanamine.

Molecular Properties

Compound NameN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylcycloheptanamine
PubChem CID80664231
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC NameN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylcycloheptanamine
SMILESCc1cc(Cl)nc(CN(C)C2CCCCCC2)n1
InChIInChI=1S/C14H22ClN3/c1-11-9-13(15)17-14(16-11)10-18(2)12-7-5-3-4-6-8-12/h9,12H,3-8,10H2,1-2H3
InChIKeyVJOQGBPPSOIHLO-UHFFFAOYSA-N
XLogP3.59
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylcycloheptanamine?
The IUPAC name of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylcycloheptanamine (CID 80664231) is N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylcycloheptanamine.
What is the SMILES notation for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylcycloheptanamine?
The canonical SMILES for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylcycloheptanamine is Cc1cc(Cl)nc(CN(C)C2CCCCCC2)n1.
What is the InChIKey of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylcycloheptanamine?
The InChIKey is VJOQGBPPSOIHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-11-9-13(15)17-14(16-11)10-18(2)12-7-5-3-4-6-8-12/h9,12H,3-8,10H2,1-2H3.
What are the key properties of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylcycloheptanamine?
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylcycloheptanamine has a molecular weight of 267.80 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylcycloheptanamine is sourced from PubChem (CID 80664231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).