6-(3-methoxypyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine

C16H20N4O — CID 103541732

IUPAC6-(3-methoxypyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine
SMILESCNc1cc(N2CCC(OC)C2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H20N4O/c1-17-14-10-15(20-9-8-13(11-20)21-2)19-16(18-14)12-6-4-3-5-7-12/h3-7,10,13H,8-9,11H2,1-2H3,(H,17,18,19)
InChIKeyUWERBRVRKSNFNI-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.41
Rot. Bonds4

About 6-(3-methoxypyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine

6-(3-methoxypyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine (PubChem CID 103541732) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-(3-methoxypyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methoxypyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine
PubChem CID103541732
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name6-(3-methoxypyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine
SMILESCNc1cc(N2CCC(OC)C2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H20N4O/c1-17-14-10-15(20-9-8-13(11-20)21-2)19-16(18-14)12-6-4-3-5-7-12/h3-7,10,13H,8-9,11H2,1-2H3,(H,17,18,19)
InChIKeyUWERBRVRKSNFNI-UHFFFAOYSA-N
XLogP2.41
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(3-methoxypyrrolidin-1-yl)-2-phenylpyrimidin-4-yl]hydrazine
CID 103542065
1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-3-ol
CID 115915565
6-(3-methoxypyrrolidin-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 103541803
6-(3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carboxamide
CID 123494824
4-chloro-6-(4-methoxypiperidin-1-yl)-2-phenylpyrimidine
CID 115914646
6-(3-methoxypyrrolidin-1-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 103541738
4-N-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 122491269
2-[(3S)-3-methoxypyrrolidin-1-yl]-N,6-dimethylpyridin-4-amine
CID 154661534
6-(2-ethylpyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine
CID 115915410
2-(3-methoxypyrrolidin-1-yl)quinoline-4-carboxylic acid
CID 103534285
4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112559826
[1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 115915425

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-(3-methoxypyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine (CID 103541732) is 6-(3-methoxypyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-methoxypyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-(3-methoxypyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine is CNc1cc(N2CCC(OC)C2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(3-methoxypyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine?
The InChIKey is UWERBRVRKSNFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-17-14-10-15(20-9-8-13(11-20)21-2)19-16(18-14)12-6-4-3-5-7-12/h3-7,10,13H,8-9,11H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(3-methoxypyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine?
6-(3-methoxypyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine has a molecular weight of 284.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 103541732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).