N-benzyl-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine

C12H17N3 — CID 154782801

IUPACN-benzyl-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCC1CN=C(NCc2ccccc2)NC1
InChIInChI=1S/C12H17N3/c1-10-7-13-12(14-8-10)15-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,13,14,15)
InChIKeyNYJLWFIDQMWURP-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.37
Rot. Bonds2

About N-benzyl-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine

N-benzyl-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 154782801) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N-benzyl-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID154782801
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN-benzyl-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCC1CN=C(NCc2ccccc2)NC1
InChIInChI=1S/C12H17N3/c1-10-7-13-12(14-8-10)15-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,13,14,15)
InChIKeyNYJLWFIDQMWURP-UHFFFAOYSA-N
XLogP1.37
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-benzyl-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine (CID 154782801) is N-benzyl-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-benzyl-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-benzyl-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine is CC1CN=C(NCc2ccccc2)NC1.
What is the InChIKey of N-benzyl-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is NYJLWFIDQMWURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-10-7-13-12(14-8-10)15-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,13,14,15).
What are the key properties of N-benzyl-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine?
N-benzyl-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 203.29 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 154782801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).