N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-N-methylpyrimidin-4-amine

C13H18ClN3 — CID 63686843

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-N-methylpyrimidin-4-amine
SMILESCN(CC1CC2CCC1C2)c1cc(Cl)ncn1
InChIInChI=1S/C13H18ClN3/c1-17(13-6-12(14)15-8-16-13)7-11-5-9-2-3-10(11)4-9/h6,8-11H,2-5,7H2,1H3
InChIKeyCXFGXVYCQLTNOF-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.00
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-N-methylpyrimidin-4-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-N-methylpyrimidin-4-amine (PubChem CID 63686843) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-N-methylpyrimidin-4-amine
PubChem CID63686843
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-N-methylpyrimidin-4-amine
SMILESCN(CC1CC2CCC1C2)c1cc(Cl)ncn1
InChIInChI=1S/C13H18ClN3/c1-17(13-6-12(14)15-8-16-13)7-11-5-9-2-3-10(11)4-9/h6,8-11H,2-5,7H2,1H3
InChIKeyCXFGXVYCQLTNOF-UHFFFAOYSA-N
XLogP3.00
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-N-methylpyrimidin-4-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-N-methylpyrimidin-4-amine (CID 63686843) is N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-N-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-N-methylpyrimidin-4-amine is CN(CC1CC2CCC1C2)c1cc(Cl)ncn1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-N-methylpyrimidin-4-amine?
The InChIKey is CXFGXVYCQLTNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c1-17(13-6-12(14)15-8-16-13)7-11-5-9-2-3-10(11)4-9/h6,8-11H,2-5,7H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-N-methylpyrimidin-4-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-N-methylpyrimidin-4-amine has a molecular weight of 251.76 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-N-methylpyrimidin-4-amine is sourced from PubChem (CID 63686843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).