N-[(4-ethylphenyl)methyl]pyrimidin-4-amine

C13H15N3 — CID 106900112

IUPACN-[(4-ethylphenyl)methyl]pyrimidin-4-amine
SMILESCCc1ccc(CNc2ccncn2)cc1
InChIInChI=1S/C13H15N3/c1-2-11-3-5-12(6-4-11)9-15-13-7-8-14-10-16-13/h3-8,10H,2,9H2,1H3,(H,14,15,16)
InChIKeyUPHUCJODAQQWEP-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.65
Rot. Bonds4

About N-[(4-ethylphenyl)methyl]pyrimidin-4-amine

N-[(4-ethylphenyl)methyl]pyrimidin-4-amine (PubChem CID 106900112) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]pyrimidin-4-amine
PubChem CID106900112
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC NameN-[(4-ethylphenyl)methyl]pyrimidin-4-amine
SMILESCCc1ccc(CNc2ccncn2)cc1
InChIInChI=1S/C13H15N3/c1-2-11-3-5-12(6-4-11)9-15-13-7-8-14-10-16-13/h3-8,10H,2,9H2,1H3,(H,14,15,16)
InChIKeyUPHUCJODAQQWEP-UHFFFAOYSA-N
XLogP2.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]pyrimidin-4-amine
CID 61252594
4-[(pyrimidin-4-ylamino)methyl]benzenesulfonamide
CID 61253359
ethane;N-ethylpyrimidin-4-amine
CID 167491074
4-N-[(4-ethylphenyl)methyl]pyrimidine-4,6-diamine
CID 113231864
N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 61253758
N-(1,3-benzodioxol-5-ylmethyl)pyrimidin-4-amine
CID 62907156
N-[(4-ethylphenyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 133304175
N-[(4-ethylphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 106901045
N-[(3-bromophenyl)methyl]pyrimidin-4-amine
CID 61401223
N-methyl-N'-pyrimidin-4-ylethane-1,2-diamine
CID 62658944
N-benzyl-5-ethylpyridin-2-amine
CID 53404811
N-[(4-ethylphenyl)methyl]-4-methylpyridin-3-amine
CID 63329527

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]pyrimidin-4-amine (CID 106900112) is N-[(4-ethylphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]pyrimidin-4-amine is CCc1ccc(CNc2ccncn2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]pyrimidin-4-amine?
The InChIKey is UPHUCJODAQQWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-2-11-3-5-12(6-4-11)9-15-13-7-8-14-10-16-13/h3-8,10H,2,9H2,1H3,(H,14,15,16).
What are the key properties of N-[(4-ethylphenyl)methyl]pyrimidin-4-amine?
N-[(4-ethylphenyl)methyl]pyrimidin-4-amine has a molecular weight of 213.28 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 106900112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).