6-(4-methoxyphenyl)-2-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine

C16H20N4O — CID 82191981

IUPAC6-(4-methoxyphenyl)-2-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine
SMILESCOc1ccc(-c2cc(NC3CCNC3)nc(C)n2)cc1
InChIInChI=1S/C16H20N4O/c1-11-18-15(12-3-5-14(21-2)6-4-12)9-16(19-11)20-13-7-8-17-10-13/h3-6,9,13,17H,7-8,10H2,1-2H3,(H,18,19,20)
InChIKeyOZRUCDQAIGJRAF-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.23
Rot. Bonds4

About 6-(4-methoxyphenyl)-2-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine

6-(4-methoxyphenyl)-2-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine (PubChem CID 82191981) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine
PubChem CID82191981
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name6-(4-methoxyphenyl)-2-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine
SMILESCOc1ccc(-c2cc(NC3CCNC3)nc(C)n2)cc1
InChIInChI=1S/C16H20N4O/c1-11-18-15(12-3-5-14(21-2)6-4-12)9-16(19-11)20-13-7-8-17-10-13/h3-6,9,13,17H,7-8,10H2,1-2H3,(H,18,19,20)
InChIKeyOZRUCDQAIGJRAF-UHFFFAOYSA-N
XLogP2.23
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azetidin-3-yl)-6-(4-methoxyphenyl)-2-methylpyrimidine
CID 95846620
6-methoxy-4-methyl-N-pyrrolidin-3-ylquinolin-2-amine
CID 67443498
6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 115266503
5-naphthalen-2-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697920
2-(4-methoxyphenyl)-N-piperidin-4-yl-6-propylpyrimidin-4-amine
CID 56766998
N-(3,5-dimethoxyphenyl)pyrrolidin-3-amine;ethane
CID 176696090
N-(azetidin-3-yl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66331245
2-chloro-6-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
CID 71638529
N-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 79741892
N-(2,4,6-trimethoxyphenyl)pyrrolidin-3-amine
CID 115118637
5-(2-fluoro-6-methoxyphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114698005
N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pyrrolidin-3-amine
CID 79731406

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine?
The IUPAC name of 6-(4-methoxyphenyl)-2-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine (CID 82191981) is 6-(4-methoxyphenyl)-2-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-2-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine is COc1ccc(-c2cc(NC3CCNC3)nc(C)n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine?
The InChIKey is OZRUCDQAIGJRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-18-15(12-3-5-14(21-2)6-4-12)9-16(19-11)20-13-7-8-17-10-13/h3-6,9,13,17H,7-8,10H2,1-2H3,(H,18,19,20).
What are the key properties of 6-(4-methoxyphenyl)-2-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine?
6-(4-methoxyphenyl)-2-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine has a molecular weight of 284.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 82191981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).