1-[5-chloro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide

C12H18ClN5O — CID 80765390

IUPAC1-[5-chloro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESCCCNc1ncc(Cl)c(N2CCCC2C(N)=O)n1
InChIInChI=1S/C12H18ClN5O/c1-2-5-15-12-16-7-8(13)11(17-12)18-6-3-4-9(18)10(14)19/h7,9H,2-6H2,1H3,(H2,14,19)(H,15,16,17)
InChIKeyYNBYOXWPDXGNJY-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.41
Rot. Bonds5

About 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide

1-[5-chloro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 80765390) has the molecular formula C12H18ClN5O and a molecular weight of 283.76 g/mol. Its IUPAC name is 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[5-chloro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID80765390
Molecular FormulaC12H18ClN5O
Molecular Weight283.76 g/mol
Exact Mass283.12
IUPAC Name1-[5-chloro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESCCCNc1ncc(Cl)c(N2CCCC2C(N)=O)n1
InChIInChI=1S/C12H18ClN5O/c1-2-5-15-12-16-7-8(13)11(17-12)18-6-3-4-9(18)10(14)19/h7,9H,2-6H2,1H3,(H2,14,19)(H,15,16,17)
InChIKeyYNBYOXWPDXGNJY-UHFFFAOYSA-N
XLogP1.41
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.41
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]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide (CID 80765390) is 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide is CCCNc1ncc(Cl)c(N2CCCC2C(N)=O)n1.
What is the InChIKey of 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is YNBYOXWPDXGNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5O/c1-2-5-15-12-16-7-8(13)11(17-12)18-6-3-4-9(18)10(14)19/h7,9H,2-6H2,1H3,(H2,14,19)(H,15,16,17).
What are the key properties of 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 283.76 g/mol, XLogP of 1.41, 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]pyrrolidine-2-carboxamide is sourced from PubChem (CID 80765390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).