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

C16H20N4O — CID 115915425

IUPAC[1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCNc1cc(N2CCCC2CO)nc(-c2ccccc2)n1
InChIInChI=1S/C16H20N4O/c1-17-14-10-15(20-9-5-8-13(20)11-21)19-16(18-14)12-6-3-2-4-7-12/h2-4,6-7,10,13,21H,5,8-9,11H2,1H3,(H,17,18,19)
InChIKeyQAWCZLRECVWRPR-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.15
Rot. Bonds4

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

[1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 115915425) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is [1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID115915425
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name[1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCNc1cc(N2CCCC2CO)nc(-c2ccccc2)n1
InChIInChI=1S/C16H20N4O/c1-17-14-10-15(20-9-5-8-13(20)11-21)19-16(18-14)12-6-3-2-4-7-12/h2-4,6-7,10,13,21H,5,8-9,11H2,1H3,(H,17,18,19)
InChIKeyQAWCZLRECVWRPR-UHFFFAOYSA-N
XLogP2.15
TPSA61.28 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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-ethylpyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine
CID 115915410
[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 115914691
[(2R)-1-[2-amino-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 122491334
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methanol
CID 106771022
1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-3-ol
CID 115915565
2-cyclopropyl-6-(2-ethylpyrrolidin-1-yl)-N-methylpyrimidin-4-amine
CID 80967096
6-(3-methoxypyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine
CID 103541732
4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112559826
4-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-2-phenylbutan-2-ol
CID 133495720
5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylpyrimidine-4-carbonyl]amino]-5-oxopentanoic acid
CID 67462214
[1-[6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133331301

Frequently Asked Questions

What is the IUPAC name of [1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 115915425) is [1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-2-yl]methanol is CNc1cc(N2CCCC2CO)nc(-c2ccccc2)n1.
What is the InChIKey of [1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is QAWCZLRECVWRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-17-14-10-15(20-9-5-8-13(20)11-21)19-16(18-14)12-6-3-2-4-7-12/h2-4,6-7,10,13,21H,5,8-9,11H2,1H3,(H,17,18,19).
What are the key properties of [1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 284.36 g/mol, XLogP of 2.15, 4 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-2-yl]methanol is sourced from PubChem (CID 115915425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).