1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-3-ol

C15H18N4O — CID 115915565

IUPAC1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-3-ol
SMILESCNc1cc(N2CCC(O)C2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H18N4O/c1-16-13-9-14(19-8-7-12(20)10-19)18-15(17-13)11-5-3-2-4-6-11/h2-6,9,12,20H,7-8,10H2,1H3,(H,16,17,18)
InChIKeyBEIIZGIUPLTTCE-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.76
Rot. Bonds3

About 1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-3-ol

1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 115915565) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID115915565
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-3-ol
SMILESCNc1cc(N2CCC(O)C2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H18N4O/c1-16-13-9-14(19-8-7-12(20)10-19)18-15(17-13)11-5-3-2-4-6-11/h2-6,9,12,20H,7-8,10H2,1H3,(H,16,17,18)
InChIKeyBEIIZGIUPLTTCE-UHFFFAOYSA-N
XLogP1.76
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-methoxypyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine
CID 103541732
[1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 115915425
[6-(3-methoxypyrrolidin-1-yl)-2-phenylpyrimidin-4-yl]hydrazine
CID 103542065
sulfanyl 4-[[6-(4-hydroxypiperidin-1-yl)-2-phenylpyrimidin-4-yl]amino]benzoate
CID 89021802
6-(2-ethylpyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine
CID 115915410
N-methyl-6-(3-methylpyrazol-1-yl)-2-phenylpyrimidin-4-amine
CID 115915799
6-cyclopropyl-N-methyl-2-phenylpyrimidin-4-amine
CID 63353488
1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-ol
CID 80763962
1-(6-hydrazinyl-2-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 80919413
N-[(3S)-1-(6-methyl-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 95127459
1-(2-quinolin-3-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 74243840
4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112559826

Frequently Asked Questions

What is the IUPAC name of 1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-3-ol (CID 115915565) is 1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-3-ol is CNc1cc(N2CCC(O)C2)nc(-c2ccccc2)n1.
What is the InChIKey of 1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is BEIIZGIUPLTTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-16-13-9-14(19-8-7-12(20)10-19)18-15(17-13)11-5-3-2-4-6-11/h2-6,9,12,20H,7-8,10H2,1H3,(H,16,17,18).
What are the key properties of 1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-3-ol?
1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 270.34 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 115915565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).