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

C13H17N5 — CID 155517275

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 Name6-N-methyl-4-N-[(1S)-1-phenylethyl]pyrimidine-2,4,6-triamine
PubChem CID155517275
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name6-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
XLogP2.27
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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).