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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Related Compounds

4-Methoxy-6-(2-prop-2-enylphenoxy)pyrimidine-2-ylamine
CID 686101
N-[6-(1-phenylethoxy)-2-propylsulfanylpyrimidin-4-yl]acetamide
CID 139248507
N-[6-[(1S)-1-phenylethoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide
CID 139248513
2,5,6-Triamino-4-Benzyloxypyrimidine
CID 9816044
2,6-Diamino-4-(benzyloxy)pyrimidine
CID 10130617
6-(Benzyloxy)-5-bromopyrimidine-2,4-diamine
CID 14479617
[2-Methoxy-6-(2-methoxy-benzyloxy)-pyrimidin-4-yl]-[2-(4-methoxy-phenyl)-ethyl]-amine
CID 53323153
4-N-methyl-6-phenylmethoxypyrimidine-2,4-diamine
CID 80858380
4-N-methyl-6-phenoxypyrimidine-2,4-diamine
CID 80869080
N-benzyl-4-cyclohexyloxy-6-methylpyrimidin-2-amine
CID 697245
6-(Benzyloxy)-2-(benzylthio)-4-pyrimidinamine
CID 90681267
6-(2,3-dimethylphenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 80864262

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).