[(2R)-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol

C15H24N4O2 — CID 97044430

IUPAC[(2R)-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCc1cnc(N2CCC[C@@H]2CO)nc1N1CCC[C@@H]1CO
InChIInChI=1S/C15H24N4O2/c1-11-8-16-15(19-7-3-5-13(19)10-21)17-14(11)18-6-2-4-12(18)9-20/h8,12-13,20-21H,2-7,9-10H2,1H3/t12-,13-/m1/s1
InChIKeyYFTHVGZUQGDJKE-CHWSQXEVSA-N
MW292.38 g/mol
LogP0.71
Rot. Bonds4

About [(2R)-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol

[(2R)-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 97044430) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is [(2R)-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID97044430
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name[(2R)-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCc1cnc(N2CCC[C@@H]2CO)nc1N1CCC[C@@H]1CO
InChIInChI=1S/C15H24N4O2/c1-11-8-16-15(19-7-3-5-13(19)10-21)17-14(11)18-6-2-4-12(18)9-20/h8,12-13,20-21H,2-7,9-10H2,1H3/t12-,13-/m1/s1
InChIKeyYFTHVGZUQGDJKE-CHWSQXEVSA-N
XLogP0.71
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 79075782
[1-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 83184365
2-chloro-4-(2-ethylpyrrolidin-1-yl)-5-methylpyrimidine
CID 79075237
[1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 106876337
[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]methanol
CID 106998436
[(2R)-1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-2-yl]methanol
CID 90958967
[(2R)-1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methanol
CID 97169521
[1-[4-(1H-benzimidazol-2-ylmethylamino)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 117088494
[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 155975322
[6-(2-ethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methanol
CID 80631427
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 23541154
[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 62770947

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 97044430) is [(2R)-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol is Cc1cnc(N2CCC[C@@H]2CO)nc1N1CCC[C@@H]1CO.
What is the InChIKey of [(2R)-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is YFTHVGZUQGDJKE-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11-8-16-15(19-7-3-5-13(19)10-21)17-14(11)18-6-2-4-12(18)9-20/h8,12-13,20-21H,2-7,9-10H2,1H3/t12-,13-/m1/s1.
What are the key properties of [(2R)-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[(2R)-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 292.38 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 97044430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).