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

C13H14ClN3 — CID 122630775

IUPACN-benzyl-2-chloro-5-ethylpyrimidin-4-amine
SMILESCCc1cnc(Cl)nc1NCc1ccccc1
InChIInChI=1S/C13H14ClN3/c1-2-11-9-16-13(14)17-12(11)15-8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,15,16,17)
InChIKeyNHWQGUMTPXRHBM-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.30
Rot. Bonds4

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

N-benzyl-2-chloro-5-ethylpyrimidin-4-amine (PubChem CID 122630775) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is N-benzyl-2-chloro-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-chloro-5-ethylpyrimidin-4-amine
PubChem CID122630775
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC NameN-benzyl-2-chloro-5-ethylpyrimidin-4-amine
SMILESCCc1cnc(Cl)nc1NCc1ccccc1
InChIInChI=1S/C13H14ClN3/c1-2-11-9-16-13(14)17-12(11)15-8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,15,16,17)
InChIKeyNHWQGUMTPXRHBM-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

N-benzyl-2-chloro-5-propan-2-ylpyrimidin-4-amine
CID 118141132
2,5-dichloro-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 79632690
2-N,4-N,5-tribenzylpyrimidine-2,4-diamine
CID 95560173
4-N-benzyl-2-chloro-6-(difluoromethyl)pyrimidine-4,5-diamine
CID 99985850
2-chloro-N-phenyl-5-(2-phenylethyl)pyrimidin-4-amine
CID 18186489
4-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenol
CID 106196702
3-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 134702880
2-chloro-4-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 154628333
2-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine
CID 79081337
N-[(3-aminophenyl)methyl]-2,5-dichloropyrimidin-4-amine
CID 58467912
N-benzyl-2,6-dichlorothieno[2,3-d]pyrimidin-4-amine
CID 18460199
2-chloro-5-fluoro-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine
CID 79080713

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-5-ethylpyrimidin-4-amine?
The IUPAC name of N-benzyl-2-chloro-5-ethylpyrimidin-4-amine (CID 122630775) is N-benzyl-2-chloro-5-ethylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-chloro-5-ethylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-chloro-5-ethylpyrimidin-4-amine is CCc1cnc(Cl)nc1NCc1ccccc1.
What is the InChIKey of N-benzyl-2-chloro-5-ethylpyrimidin-4-amine?
The InChIKey is NHWQGUMTPXRHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-2-11-9-16-13(14)17-12(11)15-8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,15,16,17).
What are the key properties of N-benzyl-2-chloro-5-ethylpyrimidin-4-amine?
N-benzyl-2-chloro-5-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-2-chloro-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 122630775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).