N-[(2-ethylphenyl)methyl]-5-methylpyrimidin-2-amine

C14H17N3 — CID 64693238

IUPACN-[(2-ethylphenyl)methyl]-5-methylpyrimidin-2-amine
SMILESCCc1ccccc1CNc1ncc(C)cn1
InChIInChI=1S/C14H17N3/c1-3-12-6-4-5-7-13(12)10-17-14-15-8-11(2)9-16-14/h4-9H,3,10H2,1-2H3,(H,15,16,17)
InChIKeyJYDUBXFFVLTJMP-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.96
Rot. Bonds4

About N-[(2-ethylphenyl)methyl]-5-methylpyrimidin-2-amine

N-[(2-ethylphenyl)methyl]-5-methylpyrimidin-2-amine (PubChem CID 64693238) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-5-methylpyrimidin-2-amine
PubChem CID64693238
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-[(2-ethylphenyl)methyl]-5-methylpyrimidin-2-amine
SMILESCCc1ccccc1CNc1ncc(C)cn1
InChIInChI=1S/C14H17N3/c1-3-12-6-4-5-7-13(12)10-17-14-15-8-11(2)9-16-14/h4-9H,3,10H2,1-2H3,(H,15,16,17)
InChIKeyJYDUBXFFVLTJMP-UHFFFAOYSA-N
XLogP2.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethylphenyl)methyl]-5-methylpyridin-2-amine
CID 64695713
2-[(2-ethylphenyl)methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83181251
N-[(2-ethylphenyl)methyl]-3-methylaniline
CID 21444100
4,6-dichloro-N-[(2-ethylphenyl)methyl]-1,3,5-triazin-2-amine
CID 64695767
N-[(2-ethylphenyl)methyl]pyridin-2-amine
CID 64695521
2-ethyl-N-[(2-ethylphenyl)methyl]aniline
CID 55197677
5-tert-butyl-N-[(2-ethylphenyl)methyl]pyridin-2-amine
CID 107874733
2-N-[(2-ethylphenyl)methyl]-5-N-(4-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine
CID 70880958
5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine
CID 63208632
N-[(2-ethylphenyl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204340
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(2-ethylphenyl)methanamine
CID 104879207
N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylaniline
CID 63422204

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-5-methylpyrimidin-2-amine?
The IUPAC name of N-[(2-ethylphenyl)methyl]-5-methylpyrimidin-2-amine (CID 64693238) is N-[(2-ethylphenyl)methyl]-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-5-methylpyrimidin-2-amine?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-5-methylpyrimidin-2-amine is CCc1ccccc1CNc1ncc(C)cn1.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-5-methylpyrimidin-2-amine?
The InChIKey is JYDUBXFFVLTJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-3-12-6-4-5-7-13(12)10-17-14-15-8-11(2)9-16-14/h4-9H,3,10H2,1-2H3,(H,15,16,17).
What are the key properties of N-[(2-ethylphenyl)methyl]-5-methylpyrimidin-2-amine?
N-[(2-ethylphenyl)methyl]-5-methylpyrimidin-2-amine has a molecular weight of 227.31 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-5-methylpyrimidin-2-amine is sourced from PubChem (CID 64693238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).