2-[1-(2-cyclopropylpyridine-4-carbonyl)pyrrolidin-2-yl]-5-methoxy-1H-pyrimidin-6-one

C18H20N4O3 — CID 154867554

IUPAC2-[1-(2-cyclopropylpyridine-4-carbonyl)pyrrolidin-2-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1cnc(C2CCCN2C(=O)c2ccnc(C3CC3)c2)[nH]c1=O
InChIInChI=1S/C18H20N4O3/c1-25-15-10-20-16(21-17(15)23)14-3-2-8-22(14)18(24)12-6-7-19-13(9-12)11-4-5-11/h6-7,9-11,14H,2-5,8H2,1H3,(H,20,21,23)
InChIKeyLMQBRSKJSZQUBB-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.03
Rot. Bonds4

About 2-[1-(2-cyclopropylpyridine-4-carbonyl)pyrrolidin-2-yl]-5-methoxy-1H-pyrimidin-6-one

2-[1-(2-cyclopropylpyridine-4-carbonyl)pyrrolidin-2-yl]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 154867554) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[1-(2-cyclopropylpyridine-4-carbonyl)pyrrolidin-2-yl]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-(2-cyclopropylpyridine-4-carbonyl)pyrrolidin-2-yl]-5-methoxy-1H-pyrimidin-6-one
PubChem CID154867554
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-[1-(2-cyclopropylpyridine-4-carbonyl)pyrrolidin-2-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1cnc(C2CCCN2C(=O)c2ccnc(C3CC3)c2)[nH]c1=O
InChIInChI=1S/C18H20N4O3/c1-25-15-10-20-16(21-17(15)23)14-3-2-8-22(14)18(24)12-6-7-19-13(9-12)11-4-5-11/h6-7,9-11,14H,2-5,8H2,1H3,(H,20,21,23)
InChIKeyLMQBRSKJSZQUBB-UHFFFAOYSA-N
XLogP2.03
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclopropylpyridine-4-carbonyl)pyrrolidin-2-yl]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-(2-cyclopropylpyridine-4-carbonyl)pyrrolidin-2-yl]-5-methoxy-1H-pyrimidin-6-one (CID 154867554) is 2-[1-(2-cyclopropylpyridine-4-carbonyl)pyrrolidin-2-yl]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-(2-cyclopropylpyridine-4-carbonyl)pyrrolidin-2-yl]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-(2-cyclopropylpyridine-4-carbonyl)pyrrolidin-2-yl]-5-methoxy-1H-pyrimidin-6-one is COc1cnc(C2CCCN2C(=O)c2ccnc(C3CC3)c2)[nH]c1=O.
What is the InChIKey of 2-[1-(2-cyclopropylpyridine-4-carbonyl)pyrrolidin-2-yl]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is LMQBRSKJSZQUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-25-15-10-20-16(21-17(15)23)14-3-2-8-22(14)18(24)12-6-7-19-13(9-12)11-4-5-11/h6-7,9-11,14H,2-5,8H2,1H3,(H,20,21,23).
What are the key properties of 2-[1-(2-cyclopropylpyridine-4-carbonyl)pyrrolidin-2-yl]-5-methoxy-1H-pyrimidin-6-one?
2-[1-(2-cyclopropylpyridine-4-carbonyl)pyrrolidin-2-yl]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 340.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclopropylpyridine-4-carbonyl)pyrrolidin-2-yl]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 154867554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).