2-cyclopropyl-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one

C11H15N3O3 — CID 136766525

IUPAC2-cyclopropyl-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(N2CC(O)C(O)C2)nc(C2CC2)[nH]1
InChIInChI=1S/C11H15N3O3/c15-7-4-14(5-8(7)16)9-3-10(17)13-11(12-9)6-1-2-6/h3,6-8,15-16H,1-2,4-5H2,(H,12,13,17)
InChIKeyYVZIJXHAUIKIEJ-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.81
Rot. Bonds2

About 2-cyclopropyl-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one

2-cyclopropyl-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136766525) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-cyclopropyl-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136766525
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-cyclopropyl-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(N2CC(O)C(O)C2)nc(C2CC2)[nH]1
InChIInChI=1S/C11H15N3O3/c15-7-4-14(5-8(7)16)9-3-10(17)13-11(12-9)6-1-2-6/h3,6-8,15-16H,1-2,4-5H2,(H,12,13,17)
InChIKeyYVZIJXHAUIKIEJ-UHFFFAOYSA-N
XLogP-0.81
TPSA89.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706903
4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136706907
2-cyclopropyl-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706909
4-(3,4-dimethoxypyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136706912
4-(3,4-dihydroxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136766521
4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136766527
4-(3,4-dihydroxypyrrolidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136766528
2-cyclopropyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783255
4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136869193
2-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136869199
2-cyclopropyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136900932
4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136900933

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one (CID 136766525) is 2-cyclopropyl-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one is O=c1cc(N2CC(O)C(O)C2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is YVZIJXHAUIKIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-7-4-14(5-8(7)16)9-3-10(17)13-11(12-9)6-1-2-6/h3,6-8,15-16H,1-2,4-5H2,(H,12,13,17).
What are the key properties of 2-cyclopropyl-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 237.26 g/mol, XLogP of -0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136766525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).