N-benzyl-6-chloro-2-cyclohexyl-5-ethylpyrimidin-4-amine

C19H24ClN3 — CID 87726327

IUPACN-benzyl-6-chloro-2-cyclohexyl-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)nc(C2CCCCC2)nc1NCc1ccccc1
InChIInChI=1S/C19H24ClN3/c1-2-16-17(20)22-18(15-11-7-4-8-12-15)23-19(16)21-13-14-9-5-3-6-10-14/h3,5-6,9-10,15H,2,4,7-8,11-13H2,1H3,(H,21,22,23)
InChIKeyBGZQXPZDMVCEOC-UHFFFAOYSA-N
MW329.87 g/mol
LogP5.35
Rot. Bonds5

About N-benzyl-6-chloro-2-cyclohexyl-5-ethylpyrimidin-4-amine

N-benzyl-6-chloro-2-cyclohexyl-5-ethylpyrimidin-4-amine (PubChem CID 87726327) has the molecular formula C19H24ClN3 and a molecular weight of 329.87 g/mol. Its IUPAC name is N-benzyl-6-chloro-2-cyclohexyl-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-chloro-2-cyclohexyl-5-ethylpyrimidin-4-amine
PubChem CID87726327
Molecular FormulaC19H24ClN3
Molecular Weight329.87 g/mol
Exact Mass329.17
IUPAC NameN-benzyl-6-chloro-2-cyclohexyl-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)nc(C2CCCCC2)nc1NCc1ccccc1
InChIInChI=1S/C19H24ClN3/c1-2-16-17(20)22-18(15-11-7-4-8-12-15)23-19(16)21-13-14-9-5-3-6-10-14/h3,5-6,9-10,15H,2,4,7-8,11-13H2,1H3,(H,21,22,23)
InChIKeyBGZQXPZDMVCEOC-UHFFFAOYSA-N
XLogP5.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.87
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-chloro-2-cyclohexyl-5-ethylpyrimidin-4-amine?
The IUPAC name of N-benzyl-6-chloro-2-cyclohexyl-5-ethylpyrimidin-4-amine (CID 87726327) is N-benzyl-6-chloro-2-cyclohexyl-5-ethylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-chloro-2-cyclohexyl-5-ethylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-chloro-2-cyclohexyl-5-ethylpyrimidin-4-amine is CCc1c(Cl)nc(C2CCCCC2)nc1NCc1ccccc1.
What is the InChIKey of N-benzyl-6-chloro-2-cyclohexyl-5-ethylpyrimidin-4-amine?
The InChIKey is BGZQXPZDMVCEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3/c1-2-16-17(20)22-18(15-11-7-4-8-12-15)23-19(16)21-13-14-9-5-3-6-10-14/h3,5-6,9-10,15H,2,4,7-8,11-13H2,1H3,(H,21,22,23).
What are the key properties of N-benzyl-6-chloro-2-cyclohexyl-5-ethylpyrimidin-4-amine?
N-benzyl-6-chloro-2-cyclohexyl-5-ethylpyrimidin-4-amine has a molecular weight of 329.87 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-chloro-2-cyclohexyl-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 87726327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).