5-chloro-N-cyclopropyl-2-(diethylamino)pyrimidine-4-carboxamide

C12H17ClN4O — CID 47430928

IUPAC5-chloro-N-cyclopropyl-2-(diethylamino)pyrimidine-4-carboxamide
SMILESCCN(CC)c1ncc(Cl)c(C(=O)NC2CC2)n1
InChIInChI=1S/C12H17ClN4O/c1-3-17(4-2)12-14-7-9(13)10(16-12)11(18)15-8-5-6-8/h7-8H,3-6H2,1-2H3,(H,15,18)
InChIKeyDKBCZWBTDAGFMS-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.87
Rot. Bonds5

About 5-chloro-N-cyclopropyl-2-(diethylamino)pyrimidine-4-carboxamide

5-chloro-N-cyclopropyl-2-(diethylamino)pyrimidine-4-carboxamide (PubChem CID 47430928) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-2-(diethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-2-(diethylamino)pyrimidine-4-carboxamide
PubChem CID47430928
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name5-chloro-N-cyclopropyl-2-(diethylamino)pyrimidine-4-carboxamide
SMILESCCN(CC)c1ncc(Cl)c(C(=O)NC2CC2)n1
InChIInChI=1S/C12H17ClN4O/c1-3-17(4-2)12-14-7-9(13)10(16-12)11(18)15-8-5-6-8/h7-8H,3-6H2,1-2H3,(H,15,18)
InChIKeyDKBCZWBTDAGFMS-UHFFFAOYSA-N
XLogP1.87
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-2-(diethylamino)pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-cyclopropyl-2-(diethylamino)pyrimidine-4-carboxamide (CID 47430928) is 5-chloro-N-cyclopropyl-2-(diethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclopropyl-2-(diethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-cyclopropyl-2-(diethylamino)pyrimidine-4-carboxamide is CCN(CC)c1ncc(Cl)c(C(=O)NC2CC2)n1.
What is the InChIKey of 5-chloro-N-cyclopropyl-2-(diethylamino)pyrimidine-4-carboxamide?
The InChIKey is DKBCZWBTDAGFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-3-17(4-2)12-14-7-9(13)10(16-12)11(18)15-8-5-6-8/h7-8H,3-6H2,1-2H3,(H,15,18).
What are the key properties of 5-chloro-N-cyclopropyl-2-(diethylamino)pyrimidine-4-carboxamide?
5-chloro-N-cyclopropyl-2-(diethylamino)pyrimidine-4-carboxamide has a molecular weight of 268.75 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-2-(diethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 47430928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).