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

C11H18N4O — CID 155975322

IUPAC[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESCN(C)c1ccnc(N2CCCC2CO)n1
InChIInChI=1S/C11H18N4O/c1-14(2)10-5-6-12-11(13-10)15-7-3-4-9(15)8-16/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyDTEGFJMVUZWQBC-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.50
Rot. Bonds3

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

[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 155975322) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is [1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID155975322
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESCN(C)c1ccnc(N2CCCC2CO)n1
InChIInChI=1S/C11H18N4O/c1-14(2)10-5-6-12-11(13-10)15-7-3-4-9(15)8-16/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyDTEGFJMVUZWQBC-UHFFFAOYSA-N
XLogP0.50
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxylic acid
CID 167808639
[1-(4-aminopyrimidin-2-yl)azepan-2-yl]methanol
CID 116797534
[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 62770947
[(2R)-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 97044430
N-benzyl-2-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 112890842
[1-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 83184365
4-[2-[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethyl]phenol
CID 117080479
2-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 116796494
[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]azepan-2-yl]methanol
CID 116640714
[1-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol
CID 80794784
N-ethyl-2-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-4-amine
CID 112900941
N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-3-yl]methanesulfonamide
CID 163352763

Frequently Asked Questions

What is the IUPAC name of [1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol (CID 155975322) is [1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol is CN(C)c1ccnc(N2CCCC2CO)n1.
What is the InChIKey of [1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is DTEGFJMVUZWQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-14(2)10-5-6-12-11(13-10)15-7-3-4-9(15)8-16/h5-6,9,16H,3-4,7-8H2,1-2H3.
What are the key properties of [1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 222.29 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 155975322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).