N-benzyl-4-methylpyrimidin-2-amine

C12H13N3 — CID 25239783

IUPACN-benzyl-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCc2ccccc2)n1
InChIInChI=1S/C12H13N3/c1-10-7-8-13-12(15-10)14-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,13,14,15)
InChIKeyCZMJRTJCTRBBQN-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.40
Rot. Bonds3

About N-benzyl-4-methylpyrimidin-2-amine

N-benzyl-4-methylpyrimidin-2-amine (PubChem CID 25239783) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is N-benzyl-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-methylpyrimidin-2-amine
PubChem CID25239783
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC NameN-benzyl-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCc2ccccc2)n1
InChIInChI=1S/C12H13N3/c1-10-7-8-13-12(15-10)14-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,13,14,15)
InChIKeyCZMJRTJCTRBBQN-UHFFFAOYSA-N
XLogP2.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methylpyrimidin-2-amine?
The IUPAC name of N-benzyl-4-methylpyrimidin-2-amine (CID 25239783) is N-benzyl-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-benzyl-4-methylpyrimidin-2-amine?
The canonical SMILES for N-benzyl-4-methylpyrimidin-2-amine is Cc1ccnc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-4-methylpyrimidin-2-amine?
The InChIKey is CZMJRTJCTRBBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-10-7-8-13-12(15-10)14-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,13,14,15).
What are the key properties of N-benzyl-4-methylpyrimidin-2-amine?
N-benzyl-4-methylpyrimidin-2-amine has a molecular weight of 199.26 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methylpyrimidin-2-amine is sourced from PubChem (CID 25239783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).