1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol

C12H20N4O2 — CID 77089256

IUPAC1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol
SMILESCN(C)c1ncc(CN2CCC(O)(CO)C2)cn1
InChIInChI=1S/C12H20N4O2/c1-15(2)11-13-5-10(6-14-11)7-16-4-3-12(18,8-16)9-17/h5-6,17-18H,3-4,7-9H2,1-2H3
InChIKeyKZZGEVCJHIQZNY-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.53
Rot. Bonds4

About 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol

1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol (PubChem CID 77089256) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol
PubChem CID77089256
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol
SMILESCN(C)c1ncc(CN2CCC(O)(CO)C2)cn1
InChIInChI=1S/C12H20N4O2/c1-15(2)11-13-5-10(6-14-11)7-16-4-3-12(18,8-16)9-17/h5-6,17-18H,3-4,7-9H2,1-2H3
InChIKeyKZZGEVCJHIQZNY-UHFFFAOYSA-N
XLogP-0.53
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(hydroxymethyl)azepan-4-ol
CID 99937329
5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-N,N-dimethylpyrimidin-2-amine;hydrochloride
CID 120907192
3-(hydroxymethyl)-1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol
CID 77092954
1-benzyl-3-[[(4,5-dimethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-3-ol
CID 133497177
1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N,3-dimethylpiperidine-3-carboxamide
CID 110249082
(4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,3,4-trimethylpiperidin-4-ol
CID 72935923
N-cyclopentyl-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-methylpiperidine-3-carboxamide
CID 110249083
3-(hydroxymethyl)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol
CID 130700479
3-(hydroxymethyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-ol
CID 130679869
(3R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethylpiperidine-3-carboxylic acid
CID 97123703
1-[(5-bromofuran-3-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol
CID 130608348
[(3S)-3-(cyclopropylmethyl)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]methanol
CID 97122738

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol?
The IUPAC name of 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol (CID 77089256) is 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol is CN(C)c1ncc(CN2CCC(O)(CO)C2)cn1.
What is the InChIKey of 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol?
The InChIKey is KZZGEVCJHIQZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-15(2)11-13-5-10(6-14-11)7-16-4-3-12(18,8-16)9-17/h5-6,17-18H,3-4,7-9H2,1-2H3.
What are the key properties of 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol?
1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol has a molecular weight of 252.32 g/mol, XLogP of -0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 77089256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).