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

C10H16N4O — CID 80795011

IUPAC[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCNc1cc(N2CCCC2CO)ncn1
InChIInChI=1S/C10H16N4O/c1-11-9-5-10(13-7-12-9)14-4-2-3-8(14)6-15/h5,7-8,15H,2-4,6H2,1H3,(H,11,12,13)
InChIKeyREUHLNJFPSRAMY-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.48
Rot. Bonds3

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

[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 80795011) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is [1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID80795011
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCNc1cc(N2CCCC2CO)ncn1
InChIInChI=1S/C10H16N4O/c1-11-9-5-10(13-7-12-9)14-4-2-3-8(14)6-15/h5,7-8,15H,2-4,6H2,1H3,(H,11,12,13)
InChIKeyREUHLNJFPSRAMY-UHFFFAOYSA-N
XLogP0.48
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine
CID 129372140
[(2R)-1-[6-[[(1S,2R)-2-methylcyclopropyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95764095
6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
CID 104693081
[1-[6-[(1-methylcyclopentyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133293728
(2R)-2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]butan-1-ol
CID 133434749
4-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 95763811
N-methyl-6-[2-[[(4-methylphenyl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119127313
6-[2-[(cyclohex-3-en-1-ylmethylamino)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 136517302
[(2R)-1-[2-amino-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 122491334
N-methyl-6-[2-[(thian-4-ylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119124051
(2S)-2-[[6-[2-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]propanoic acid
CID 122049394
[(2R)-1-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95758167

Frequently Asked Questions

What is the IUPAC name of [1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 80795011) is [1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol is CNc1cc(N2CCCC2CO)ncn1.
What is the InChIKey of [1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is REUHLNJFPSRAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-11-9-5-10(13-7-12-9)14-4-2-3-8(14)6-15/h5,7-8,15H,2-4,6H2,1H3,(H,11,12,13).
What are the key properties of [1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 208.26 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 80795011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).