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

C16H20N4O — CID 82191849

IUPAC1-[4-(2-methoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine
SMILESCOc1ccccc1-c1cc(C)nc(N2CCC(N)C2)n1
InChIInChI=1S/C16H20N4O/c1-11-9-14(13-5-3-4-6-15(13)21-2)19-16(18-11)20-8-7-12(17)10-20/h3-6,9,12H,7-8,10,17H2,1-2H3
InChIKeyNDKPQRXCNSZINM-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.00
Rot. Bonds3

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

1-[4-(2-methoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine (PubChem CID 82191849) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine
PubChem CID82191849
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-[4-(2-methoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine
SMILESCOc1ccccc1-c1cc(C)nc(N2CCC(N)C2)n1
InChIInChI=1S/C16H20N4O/c1-11-9-14(13-5-3-4-6-15(13)21-2)19-16(18-11)20-8-7-12(17)10-20/h3-6,9,12H,7-8,10,17H2,1-2H3
InChIKeyNDKPQRXCNSZINM-UHFFFAOYSA-N
XLogP2.00
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-ethoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine
CID 82191850
(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-amine
CID 71638298
2-[2-(3-aminopyrrolidin-1-yl)-6-methylpyrimidin-4-yl]-4-(2-fluoro-6-methoxyphenyl)-3H-isoindol-1-one
CID 175365753
(3R)-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-amine
CID 136582876
1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-amine
CID 56770334
2-[2-(3-aminopyrrolidin-1-yl)-6-methylpyrimidin-4-yl]-4-(2-fluoro-6-methoxyphenyl)-1-oxo-3H-isoindole-5-carbonitrile
CID 175365739
6-(2-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carbonitrile
CID 39380251
4-[4-(2-methoxyphenyl)-6-phenylpyrimidin-2-yl]morpholine
CID 909883
3-[4-(2-methoxyphenyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octane
CID 166248012
2-[3-[5-[2-(2-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-4,6-dimethylpyrimidine
CID 110261352
1-(2-methoxyphenyl)piperidin-4-amine
CID 24708477
1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-3-amine
CID 112634785

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine?
The IUPAC name of 1-[4-(2-methoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine (CID 82191849) is 1-[4-(2-methoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine?
The canonical SMILES for 1-[4-(2-methoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine is COc1ccccc1-c1cc(C)nc(N2CCC(N)C2)n1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine?
The InChIKey is NDKPQRXCNSZINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-9-14(13-5-3-4-6-15(13)21-2)19-16(18-11)20-8-7-12(17)10-20/h3-6,9,12H,7-8,10,17H2,1-2H3.
What are the key properties of 1-[4-(2-methoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine?
1-[4-(2-methoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine has a molecular weight of 284.36 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 82191849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).