1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide

C14H22ClN5O — CID 106322483

IUPAC1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCCCNc1ncc(Cl)c(N2CCC(C)(C(=O)NC)C2)n1
InChIInChI=1S/C14H22ClN5O/c1-4-6-17-13-18-8-10(15)11(19-13)20-7-5-14(2,9-20)12(21)16-3/h8H,4-7,9H2,1-3H3,(H,16,21)(H,17,18,19)
InChIKeyJUUBXZQTUYTCDE-UHFFFAOYSA-N
MW311.82 g/mol
LogP1.91
Rot. Bonds5

About 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide

1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106322483) has the molecular formula C14H22ClN5O and a molecular weight of 311.82 g/mol. Its IUPAC name is 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106322483
Molecular FormulaC14H22ClN5O
Molecular Weight311.82 g/mol
Exact Mass311.15
IUPAC Name1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCCCNc1ncc(Cl)c(N2CCC(C)(C(=O)NC)C2)n1
InChIInChI=1S/C14H22ClN5O/c1-4-6-17-13-18-8-10(15)11(19-13)20-7-5-14(2,9-20)12(21)16-3/h8H,4-7,9H2,1-3H3,(H,16,21)(H,17,18,19)
InChIKeyJUUBXZQTUYTCDE-UHFFFAOYSA-N
XLogP1.91
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide (CID 106322483) is 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide is CCCNc1ncc(Cl)c(N2CCC(C)(C(=O)NC)C2)n1.
What is the InChIKey of 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is JUUBXZQTUYTCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN5O/c1-4-6-17-13-18-8-10(15)11(19-13)20-7-5-14(2,9-20)12(21)16-3/h8H,4-7,9H2,1-3H3,(H,16,21)(H,17,18,19).
What are the key properties of 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide?
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 311.82 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106322483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).