N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-methoxy-N-methylpyrimidin-4-amine

C13H21ClN4O — CID 80751744

IUPACN-[2-(aminomethyl)cyclohexyl]-5-chloro-2-methoxy-N-methylpyrimidin-4-amine
SMILESCOc1ncc(Cl)c(N(C)C2CCCCC2CN)n1
InChIInChI=1S/C13H21ClN4O/c1-18(11-6-4-3-5-9(11)7-15)12-10(14)8-16-13(17-12)19-2/h8-9,11H,3-7,15H2,1-2H3
InChIKeyJKHUZCSAMWYDIC-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.09
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-methoxy-N-methylpyrimidin-4-amine

N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-methoxy-N-methylpyrimidin-4-amine (PubChem CID 80751744) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-methoxy-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-5-chloro-2-methoxy-N-methylpyrimidin-4-amine
PubChem CID80751744
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-5-chloro-2-methoxy-N-methylpyrimidin-4-amine
SMILESCOc1ncc(Cl)c(N(C)C2CCCCC2CN)n1
InChIInChI=1S/C13H21ClN4O/c1-18(11-6-4-3-5-9(11)7-15)12-10(14)8-16-13(17-12)19-2/h8-9,11H,3-7,15H2,1-2H3
InChIKeyJKHUZCSAMWYDIC-UHFFFAOYSA-N
XLogP2.09
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-methoxy-N-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-methoxy-N-methylpyrimidin-4-amine (CID 80751744) is N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-methoxy-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-methoxy-N-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-methoxy-N-methylpyrimidin-4-amine is COc1ncc(Cl)c(N(C)C2CCCCC2CN)n1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-methoxy-N-methylpyrimidin-4-amine?
The InChIKey is JKHUZCSAMWYDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-18(11-6-4-3-5-9(11)7-15)12-10(14)8-16-13(17-12)19-2/h8-9,11H,3-7,15H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-methoxy-N-methylpyrimidin-4-amine?
N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-methoxy-N-methylpyrimidin-4-amine has a molecular weight of 284.79 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-methoxy-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80751744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).