6-methyl-2-(phenylmethoxymethyl)-N-propylpyrimidin-4-amine

C16H21N3O — CID 80654123

IUPAC6-methyl-2-(phenylmethoxymethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(COCc2ccccc2)n1
InChIInChI=1S/C16H21N3O/c1-3-9-17-15-10-13(2)18-16(19-15)12-20-11-14-7-5-4-6-8-14/h4-8,10H,3,9,11-12H2,1-2H3,(H,17,18,19)
InChIKeyLMLFXBITJODVHR-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.32
Rot. Bonds7

About 6-methyl-2-(phenylmethoxymethyl)-N-propylpyrimidin-4-amine

6-methyl-2-(phenylmethoxymethyl)-N-propylpyrimidin-4-amine (PubChem CID 80654123) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-methyl-2-(phenylmethoxymethyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-(phenylmethoxymethyl)-N-propylpyrimidin-4-amine
PubChem CID80654123
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-methyl-2-(phenylmethoxymethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(COCc2ccccc2)n1
InChIInChI=1S/C16H21N3O/c1-3-9-17-15-10-13(2)18-16(19-15)12-20-11-14-7-5-4-6-8-14/h4-8,10H,3,9,11-12H2,1-2H3,(H,17,18,19)
InChIKeyLMLFXBITJODVHR-UHFFFAOYSA-N
XLogP3.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzylsulfanylmethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 80654078
6-methyl-2-[(2-methylphenoxy)methyl]-N-propylpyrimidin-4-amine
CID 80654286
2-[(4-chlorophenyl)methoxymethyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80653921
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
2-(1-ethoxypropan-2-yloxymethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 103490268
2-benzyl-N-ethyl-6-methylpyrimidin-4-amine
CID 62191071
6-methyl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine
CID 80654941
2-benzyl-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 62320410
2-[(5-bromo-2-methylphenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 107285486
2-[(4-bromophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 55135198
2-[(3-chloro-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 116689913
6-methyl-2-(oxolan-3-ylmethoxymethyl)-N-propylpyrimidin-4-amine
CID 80653914

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(phenylmethoxymethyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-methyl-2-(phenylmethoxymethyl)-N-propylpyrimidin-4-amine (CID 80654123) is 6-methyl-2-(phenylmethoxymethyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-(phenylmethoxymethyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-(phenylmethoxymethyl)-N-propylpyrimidin-4-amine is CCCNc1cc(C)nc(COCc2ccccc2)n1.
What is the InChIKey of 6-methyl-2-(phenylmethoxymethyl)-N-propylpyrimidin-4-amine?
The InChIKey is LMLFXBITJODVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-9-17-15-10-13(2)18-16(19-15)12-20-11-14-7-5-4-6-8-14/h4-8,10H,3,9,11-12H2,1-2H3,(H,17,18,19).
What are the key properties of 6-methyl-2-(phenylmethoxymethyl)-N-propylpyrimidin-4-amine?
6-methyl-2-(phenylmethoxymethyl)-N-propylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(phenylmethoxymethyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80654123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).