4-N-methyl-6-[(1S)-1-phenylethoxy]pyrimidine-2,4-diamine

C13H16N4O — CID 155548365

IUPAC4-N-methyl-6-[(1S)-1-phenylethoxy]pyrimidine-2,4-diamine
SMILESCNc1cc(O[C@@H](C)c2ccccc2)nc(N)n1
InChIInChI=1S/C13H16N4O/c1-9(10-6-4-3-5-7-10)18-12-8-11(15-2)16-13(14)17-12/h3-9H,1-2H3,(H3,14,15,16,17)/t9-/m0/s1
InChIKeyGDGIEMSFAOCJON-VIFPVBQESA-N
MW244.30 g/mol
LogP2.24
Rot. Bonds4

About 4-N-methyl-6-[(1S)-1-phenylethoxy]pyrimidine-2,4-diamine

4-N-methyl-6-[(1S)-1-phenylethoxy]pyrimidine-2,4-diamine (PubChem CID 155548365) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-N-methyl-6-[(1S)-1-phenylethoxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-[(1S)-1-phenylethoxy]pyrimidine-2,4-diamine
PubChem CID155548365
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-N-methyl-6-[(1S)-1-phenylethoxy]pyrimidine-2,4-diamine
SMILESCNc1cc(O[C@@H](C)c2ccccc2)nc(N)n1
InChIInChI=1S/C13H16N4O/c1-9(10-6-4-3-5-7-10)18-12-8-11(15-2)16-13(14)17-12/h3-9H,1-2H3,(H3,14,15,16,17)/t9-/m0/s1
InChIKeyGDGIEMSFAOCJON-VIFPVBQESA-N
XLogP2.24
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-[(1S)-1-phenylethoxy]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-[(1S)-1-phenylethoxy]pyrimidine-2,4-diamine (CID 155548365) is 4-N-methyl-6-[(1S)-1-phenylethoxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-[(1S)-1-phenylethoxy]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-[(1S)-1-phenylethoxy]pyrimidine-2,4-diamine is CNc1cc(O[C@@H](C)c2ccccc2)nc(N)n1.
What is the InChIKey of 4-N-methyl-6-[(1S)-1-phenylethoxy]pyrimidine-2,4-diamine?
The InChIKey is GDGIEMSFAOCJON-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N4O/c1-9(10-6-4-3-5-7-10)18-12-8-11(15-2)16-13(14)17-12/h3-9H,1-2H3,(H3,14,15,16,17)/t9-/m0/s1.
What are the key properties of 4-N-methyl-6-[(1S)-1-phenylethoxy]pyrimidine-2,4-diamine?
4-N-methyl-6-[(1S)-1-phenylethoxy]pyrimidine-2,4-diamine has a molecular weight of 244.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-[(1S)-1-phenylethoxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 155548365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).