6-N-methyl-4-N-[(1S)-1-phenylethyl]pyrimidine-2,4,6-triamine

Name: 6-N-methyl-4-N-[(1S)-1-phenylethyl]pyrimidine-2,4,6-triamine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₇N₅ — CID 155517275

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC6-N-methyl-4-N-[(1S)-1-phenylethyl]pyrimidine-2,4,6-triamine

SMILESCNc1cc(N[C@@H](C)c2ccccc2)nc(N)n1

InChIInChI=1S/C13H17N5/c1-9(10-6-4-3-5-7-10)16-12-8-11(15-2)17-13(14)18-12/h3-9H,1-2H3,(H4,14,15,16,17,18)/t9-/m0/s1

InChIKeyAWNVFLZFTDWFHM-VIFPVBQESA-N

MW243.31 g/mol

LogP2.27

Rot. Bonds4

About 6-N-methyl-4-N-[(1S)-1-phenylethyl]pyrimidine-2,4,6-triamine

6-N-methyl-4-N-[(1S)-1-phenylethyl]pyrimidine-2,4,6-triamine (PubChem CID 155517275) has the molecular formula C₁₃H₁₇N₅ and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-N-methyl-4-N-[(1S)-1-phenylethyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name	6-N-methyl-4-N-[(1S)-1-phenylethyl]pyrimidine-2,4,6-triamine
PubChem CID	155517275
Molecular Formula	C₁₃H₁₇N₅
Molecular Weight	243.31 g/mol
Exact Mass	243.15
IUPAC Name	6-N-methyl-4-N-[(1S)-1-phenylethyl]pyrimidine-2,4,6-triamine
SMILES	CNc1cc(N[C@@H](C)c2ccccc2)nc(N)n1
InChI	InChI=1S/C13H17N5/c1-9(10-6-4-3-5-7-10)16-12-8-11(15-2)17-13(14)18-12/h3-9H,1-2H3,(H4,14,15,16,17,18)/t9-/m0/s1
InChIKey	AWNVFLZFTDWFHM-VIFPVBQESA-N
XLogP	2.27
TPSA	75.86 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	243.31
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[(1S)-1-phenylethyl]pyrimidine-2,4,6-triamine?

The IUPAC name of 6-N-methyl-4-N-[(1S)-1-phenylethyl]pyrimidine-2,4,6-triamine (CID 155517275) is 6-N-methyl-4-N-[(1S)-1-phenylethyl]pyrimidine-2,4,6-triamine.

What is the SMILES notation for 6-N-methyl-4-N-[(1S)-1-phenylethyl]pyrimidine-2,4,6-triamine?

The canonical SMILES for 6-N-methyl-4-N-[(1S)-1-phenylethyl]pyrimidine-2,4,6-triamine is CNc1cc(N[C@@H](C)c2ccccc2)nc(N)n1.

What is the InChIKey of 6-N-methyl-4-N-[(1S)-1-phenylethyl]pyrimidine-2,4,6-triamine?

The InChIKey is AWNVFLZFTDWFHM-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17N5/c1-9(10-6-4-3-5-7-10)16-12-8-11(15-2)17-13(14)18-12/h3-9H,1-2H3,(H4,14,15,16,17,18)/t9-/m0/s1.

What are the key properties of 6-N-methyl-4-N-[(1S)-1-phenylethyl]pyrimidine-2,4,6-triamine?

6-N-methyl-4-N-[(1S)-1-phenylethyl]pyrimidine-2,4,6-triamine has a molecular weight of 243.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-methyl-4-N-[(1S)-1-phenylethyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 155517275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155517275 — identifiers, structure, computed properties (public domain)

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