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

C13H14ClN3 — CID 80935618

IUPACN-benzyl-6-chloro-2-ethylpyrimidin-4-amine
SMILESCCc1nc(Cl)cc(NCc2ccccc2)n1
InChIInChI=1S/C13H14ClN3/c1-2-12-16-11(14)8-13(17-12)15-9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,15,16,17)
InChIKeyYRWDUFYQSKWOKG-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.30
Rot. Bonds4

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

N-benzyl-6-chloro-2-ethylpyrimidin-4-amine (PubChem CID 80935618) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is N-benzyl-6-chloro-2-ethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-chloro-2-ethylpyrimidin-4-amine
PubChem CID80935618
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC NameN-benzyl-6-chloro-2-ethylpyrimidin-4-amine
SMILESCCc1nc(Cl)cc(NCc2ccccc2)n1
InChIInChI=1S/C13H14ClN3/c1-2-12-16-11(14)8-13(17-12)15-9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,15,16,17)
InChIKeyYRWDUFYQSKWOKG-UHFFFAOYSA-N
XLogP3.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106193521
6-chloro-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 80938818
4-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 80935909
N-benzyl-2-ethyl-6-methoxypyrimidin-4-amine
CID 82453753
N-benzyl-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 4190856
6-chloro-2-ethyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
CID 106193475
N-benzyl-6-chloro-2-hydrazinylpyrimidin-4-amine
CID 77230922
N-benzyl-6-chloro-4-iodopyridin-2-amine
CID 87184942
N-(6-chloro-2-ethylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 80938806
6-chloro-2-ethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 80943258
6-chloro-2-ethyl-N-[2-(2-fluorophenyl)ethyl]pyrimidin-4-amine
CID 80936245
4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol
CID 106196664

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-chloro-2-ethylpyrimidin-4-amine?
The IUPAC name of N-benzyl-6-chloro-2-ethylpyrimidin-4-amine (CID 80935618) is N-benzyl-6-chloro-2-ethylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-chloro-2-ethylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-chloro-2-ethylpyrimidin-4-amine is CCc1nc(Cl)cc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-6-chloro-2-ethylpyrimidin-4-amine?
The InChIKey is YRWDUFYQSKWOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-2-12-16-11(14)8-13(17-12)15-9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,15,16,17).
What are the key properties of N-benzyl-6-chloro-2-ethylpyrimidin-4-amine?
N-benzyl-6-chloro-2-ethylpyrimidin-4-amine has a molecular weight of 247.73 g/mol, XLogP of 3.30, 4 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-ethylpyrimidin-4-amine is sourced from PubChem (CID 80935618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).