N-[2-(3-methylphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C13H19N3 — CID 110917745

IUPACN-[2-(3-methylphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCc1cccc(CCNC2=NCCCN2)c1
InChIInChI=1S/C13H19N3/c1-11-4-2-5-12(10-11)6-9-16-13-14-7-3-8-15-13/h2,4-5,10H,3,6-9H2,1H3,(H2,14,15,16)
InChIKeyQHTPTMGGCODXMX-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.48
Rot. Bonds3

About N-[2-(3-methylphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[2-(3-methylphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 110917745) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID110917745
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-[2-(3-methylphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCc1cccc(CCNC2=NCCCN2)c1
InChIInChI=1S/C13H19N3/c1-11-4-2-5-12(10-11)6-9-16-13-14-7-3-8-15-13/h2,4-5,10H,3,6-9H2,1H3,(H2,14,15,16)
InChIKeyQHTPTMGGCODXMX-UHFFFAOYSA-N
XLogP1.48
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110914117
N-[2-(4-fluorophenyl)ethyl]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
CID 166241763
N-(2-naphthalen-1-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110915371
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110915187
N-[2-(1H-pyrazol-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 127014926
N-[2-(4-propan-2-yloxyphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913375
N-[2-(3,5-dichlorophenyl)ethyl]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine;hydrobromide
CID 166242003
N-[2-(3-methylphenyl)ethyl]pyridin-4-amine
CID 62315390
N-[(3-methylphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline
CID 143153215
4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline
CID 22960583
2-bromo-5-methyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]benzenesulfonamide
CID 120967440
N-(2-pyridin-2-ylethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
CID 125422349

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 110917745) is N-[2-(3-methylphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine is Cc1cccc(CCNC2=NCCCN2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is QHTPTMGGCODXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-11-4-2-5-12(10-11)6-9-16-13-14-7-3-8-15-13/h2,4-5,10H,3,6-9H2,1H3,(H2,14,15,16).
What are the key properties of N-[2-(3-methylphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[2-(3-methylphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 217.32 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 110917745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).