3-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione

C12H19N3O3 — CID 91841626

IUPAC3-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)n(CCN2CCC[C@@H]2CO)c(=O)[nH]1
InChIInChI=1S/C12H19N3O3/c1-9-7-11(17)15(12(18)13-9)6-5-14-4-2-3-10(14)8-16/h7,10,16H,2-6,8H2,1H3,(H,13,18)/t10-/m1/s1
InChIKeyDWGZULCKIKJDNT-SNVBAGLBSA-N
MW253.30 g/mol
LogP-0.70
Rot. Bonds4

About 3-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione

3-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 91841626) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID91841626
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name3-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)n(CCN2CCC[C@@H]2CO)c(=O)[nH]1
InChIInChI=1S/C12H19N3O3/c1-9-7-11(17)15(12(18)13-9)6-5-14-4-2-3-10(14)8-16/h7,10,16H,2-6,8H2,1H3,(H,13,18)/t10-/m1/s1
InChIKeyDWGZULCKIKJDNT-SNVBAGLBSA-N
XLogP-0.70
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione (CID 91841626) is 3-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione is Cc1cc(=O)n(CCN2CCC[C@@H]2CO)c(=O)[nH]1.
What is the InChIKey of 3-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is DWGZULCKIKJDNT-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9-7-11(17)15(12(18)13-9)6-5-14-4-2-3-10(14)8-16/h7,10,16H,2-6,8H2,1H3,(H,13,18)/t10-/m1/s1.
What are the key properties of 3-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione?
3-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 253.30 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 91841626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).