cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide

C14H20N4O2 — CID 136891751

IUPACcis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)NCc1cc(=O)[nH]c(N2CCCC2)n1
InChIInChI=1S/C14H20N4O2/c1-9-6-11(9)13(20)15-8-10-7-12(19)17-14(16-10)18-4-2-3-5-18/h7,9,11H,2-6,8H2,1H3,(H,15,20)(H,16,17,19)/t9-,11+/m1/s1
InChIKeyAUVJBZKAHXGSMJ-KOLCDFICSA-N
MW276.34 g/mol
LogP0.64
Rot. Bonds4

About cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 136891751) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
PubChem CID136891751
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Namecis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)NCc1cc(=O)[nH]c(N2CCCC2)n1
InChIInChI=1S/C14H20N4O2/c1-9-6-11(9)13(20)15-8-10-7-12(19)17-14(16-10)18-4-2-3-5-18/h7,9,11H,2-6,8H2,1H3,(H,15,20)(H,16,17,19)/t9-,11+/m1/s1
InChIKeyAUVJBZKAHXGSMJ-KOLCDFICSA-N
XLogP0.64
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide (CID 136891751) is cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide is C[C@@H]1C[C@@H]1C(=O)NCc1cc(=O)[nH]c(N2CCCC2)n1.
What is the InChIKey of cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is AUVJBZKAHXGSMJ-KOLCDFICSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9-6-11(9)13(20)15-8-10-7-12(19)17-14(16-10)18-4-2-3-5-18/h7,9,11H,2-6,8H2,1H3,(H,15,20)(H,16,17,19)/t9-,11+/m1/s1.
What are the key properties of cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 136891751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).