2-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-5-amine

C11H15N3 — CID 129026845

IUPAC2-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-5-amine
SMILESCc1ccc(C2=NCC(N)CN2)cc1
InChIInChI=1S/C11H15N3/c1-8-2-4-9(5-3-8)11-13-6-10(12)7-14-11/h2-5,10H,6-7,12H2,1H3,(H,13,14)
InChIKeyOZUZGKJICLFGMG-UHFFFAOYSA-N
MW189.26 g/mol
LogP0.67
Rot. Bonds1

About 2-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-5-amine

2-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-5-amine (PubChem CID 129026845) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-5-amine.

Molecular Properties

Compound Name2-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-5-amine
PubChem CID129026845
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-5-amine
SMILESCc1ccc(C2=NCC(N)CN2)cc1
InChIInChI=1S/C11H15N3/c1-8-2-4-9(5-3-8)11-13-6-10(12)7-14-11/h2-5,10H,6-7,12H2,1H3,(H,13,14)
InChIKeyOZUZGKJICLFGMG-UHFFFAOYSA-N
XLogP0.67
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-5-amine?
The IUPAC name of 2-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-5-amine (CID 129026845) is 2-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-5-amine.
What is the SMILES notation for 2-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-5-amine?
The canonical SMILES for 2-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-5-amine is Cc1ccc(C2=NCC(N)CN2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-5-amine?
The InChIKey is OZUZGKJICLFGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-8-2-4-9(5-3-8)11-13-6-10(12)7-14-11/h2-5,10H,6-7,12H2,1H3,(H,13,14).
What are the key properties of 2-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-5-amine?
2-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-5-amine has a molecular weight of 189.26 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-5-amine is sourced from PubChem (CID 129026845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).