1-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine

C15H17N3O — CID 116896700

IUPAC1-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine
SMILESCOc1cccc(-c2cc(C)nc(C3(N)CC3)n2)c1
InChIInChI=1S/C15H17N3O/c1-10-8-13(11-4-3-5-12(9-11)19-2)18-14(17-10)15(16)6-7-15/h3-5,8-9H,6-7,16H2,1-2H3
InChIKeyKJDBAVOGWJLKBN-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.41
Rot. Bonds3

About 1-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine

1-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine (PubChem CID 116896700) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine
PubChem CID116896700
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine
SMILESCOc1cccc(-c2cc(C)nc(C3(N)CC3)n2)c1
InChIInChI=1S/C15H17N3O/c1-10-8-13(11-4-3-5-12(9-11)19-2)18-14(17-10)15(16)6-7-15/h3-5,8-9H,6-7,16H2,1-2H3
InChIKeyKJDBAVOGWJLKBN-UHFFFAOYSA-N
XLogP2.41
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxyphenyl)-2,6-dimethylpyrimidine
CID 116897003
N'-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine
CID 82191626
2-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-amine
CID 82192539
4-(3-methoxyphenyl)-6-methylpyrimidine
CID 58973518
2-(3-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 62192962
1-[4-(3-methoxyphenyl)pyrimidin-2-yl]cyclopropane-1-carbonitrile
CID 116902410
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
1-[3-(4-methoxyphenyl)phenyl]cyclopropan-1-amine
CID 167713468
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
3-methoxy-6-(3-methoxyphenyl)pyridazin-4-amine
CID 117127015
6-methoxy-2-(3-methoxyphenyl)quinolin-4-amine
CID 69239758

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine?
The IUPAC name of 1-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine (CID 116896700) is 1-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine is COc1cccc(-c2cc(C)nc(C3(N)CC3)n2)c1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine?
The InChIKey is KJDBAVOGWJLKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-8-13(11-4-3-5-12(9-11)19-2)18-14(17-10)15(16)6-7-15/h3-5,8-9H,6-7,16H2,1-2H3.
What are the key properties of 1-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine?
1-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine has a molecular weight of 255.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 116896700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).