5-chloro-N-methyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C13H19ClN4O — CID 78888212

IUPAC5-chloro-N-methyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCC(C)N(C)C(=O)c1nc(N2CCCC2)ncc1Cl
InChIInChI=1S/C13H19ClN4O/c1-9(2)17(3)12(19)11-10(14)8-15-13(16-11)18-6-4-5-7-18/h8-9H,4-7H2,1-3H3
InChIKeyIYKOORLGWHSVGA-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.21
Rot. Bonds3

About 5-chloro-N-methyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

5-chloro-N-methyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 78888212) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID78888212
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name5-chloro-N-methyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCC(C)N(C)C(=O)c1nc(N2CCCC2)ncc1Cl
InChIInChI=1S/C13H19ClN4O/c1-9(2)17(3)12(19)11-10(14)8-15-13(16-11)18-6-4-5-7-18/h8-9H,4-7H2,1-3H3
InChIKeyIYKOORLGWHSVGA-UHFFFAOYSA-N
XLogP2.21
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 47430928
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CID 49222285
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CID 56821165
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CID 56821323
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CID 71924226
CID 71924226
CID 72104418
CID 72104418
CID 72125336
CID 72125336
CID 6463586
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CID 45804864
CID 45804864

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-methyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 78888212) is 5-chloro-N-methyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is CC(C)N(C)C(=O)c1nc(N2CCCC2)ncc1Cl.
What is the InChIKey of 5-chloro-N-methyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is IYKOORLGWHSVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-9(2)17(3)12(19)11-10(14)8-15-13(16-11)18-6-4-5-7-18/h8-9H,4-7H2,1-3H3.
What are the key properties of 5-chloro-N-methyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
5-chloro-N-methyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 78888212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).