6-methoxy-5-methyl-N-(3-phenylbutyl)pyrimidin-4-amine

C16H21N3O — CID 66325227

IUPAC6-methoxy-5-methyl-N-(3-phenylbutyl)pyrimidin-4-amine
SMILESCOc1ncnc(NCCC(C)c2ccccc2)c1C
InChIInChI=1S/C16H21N3O/c1-12(14-7-5-4-6-8-14)9-10-17-15-13(2)16(20-3)19-11-18-15/h4-8,11-12H,9-10H2,1-3H3,(H,17,18,19)
InChIKeyYDQSPRBMBGLYFS-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.40
Rot. Bonds6

About 6-methoxy-5-methyl-N-(3-phenylbutyl)pyrimidin-4-amine

6-methoxy-5-methyl-N-(3-phenylbutyl)pyrimidin-4-amine (PubChem CID 66325227) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-methoxy-5-methyl-N-(3-phenylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-5-methyl-N-(3-phenylbutyl)pyrimidin-4-amine
PubChem CID66325227
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-methoxy-5-methyl-N-(3-phenylbutyl)pyrimidin-4-amine
SMILESCOc1ncnc(NCCC(C)c2ccccc2)c1C
InChIInChI=1S/C16H21N3O/c1-12(14-7-5-4-6-8-14)9-10-17-15-13(2)16(20-3)19-11-18-15/h4-8,11-12H,9-10H2,1-3H3,(H,17,18,19)
InChIKeyYDQSPRBMBGLYFS-UHFFFAOYSA-N
XLogP3.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 66327861
6-methoxy-5-methyl-N-(3-phenoxypropyl)pyrimidin-4-amine
CID 66324814
6-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-4-methylhexanoic acid
CID 66331320
6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
5-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162116
N-(3-phenylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 62402452
N-(6-methoxy-5-methylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 66327244
N-hexyl-6-methoxy-5-methylpyrimidin-4-amine
CID 66325235
4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 66326883
6-methoxy-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 66325409
4-methoxy-N-(3-phenylbutyl)aniline
CID 15317290
5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine
CID 113430292

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methyl-N-(3-phenylbutyl)pyrimidin-4-amine?
The IUPAC name of 6-methoxy-5-methyl-N-(3-phenylbutyl)pyrimidin-4-amine (CID 66325227) is 6-methoxy-5-methyl-N-(3-phenylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-5-methyl-N-(3-phenylbutyl)pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-5-methyl-N-(3-phenylbutyl)pyrimidin-4-amine is COc1ncnc(NCCC(C)c2ccccc2)c1C.
What is the InChIKey of 6-methoxy-5-methyl-N-(3-phenylbutyl)pyrimidin-4-amine?
The InChIKey is YDQSPRBMBGLYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(14-7-5-4-6-8-14)9-10-17-15-13(2)16(20-3)19-11-18-15/h4-8,11-12H,9-10H2,1-3H3,(H,17,18,19).
What are the key properties of 6-methoxy-5-methyl-N-(3-phenylbutyl)pyrimidin-4-amine?
6-methoxy-5-methyl-N-(3-phenylbutyl)pyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-methyl-N-(3-phenylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 66325227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).