1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide

C14H19ClN4O — CID 80971406

IUPAC1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C14H19ClN4O/c1-8-11(15)17-12(9-5-6-9)18-13(8)19-7-3-4-10(19)14(20)16-2/h9-10H,3-7H2,1-2H3,(H,16,20)
InChIKeyRYDUNEFBLPQTHO-UHFFFAOYSA-N
MW294.79 g/mol
LogP2.03
Rot. Bonds3

About 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide

1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 80971406) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
PubChem CID80971406
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C14H19ClN4O/c1-8-11(15)17-12(9-5-6-9)18-13(8)19-7-3-4-10(19)14(20)16-2/h9-10H,3-7H2,1-2H3,(H,16,20)
InChIKeyRYDUNEFBLPQTHO-UHFFFAOYSA-N
XLogP2.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 80987630
1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80987629
1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80805785
1-(2-amino-5-chloropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 80806767
1-[4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 80979741
1-(2,5-dichloropyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 79632083
1-(2-chloroquinazolin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 62477865
1-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 80994938
1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 80986924
1-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide
CID 102757200
1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 103583251
1-(6-amino-5-methyl-2-propylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 80986923

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide (CID 80971406) is 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1c1nc(C2CC2)nc(Cl)c1C.
What is the InChIKey of 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is RYDUNEFBLPQTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-8-11(15)17-12(9-5-6-9)18-13(8)19-7-3-4-10(19)14(20)16-2/h9-10H,3-7H2,1-2H3,(H,16,20).
What are the key properties of 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide?
1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 294.79 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 80971406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).