5-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine

C12H18ClN5 — CID 80828314

IUPAC5-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
SMILESNc1ncc(Cl)c(N2CCC(N3CCCC3)C2)n1
InChIInChI=1S/C12H18ClN5/c13-10-7-15-12(14)16-11(10)18-6-3-9(8-18)17-4-1-2-5-17/h7,9H,1-6,8H2,(H2,14,15,16)
InChIKeyLDZVTTGQBAIFIQ-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.39
Rot. Bonds2

About 5-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine

5-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine (PubChem CID 80828314) has the molecular formula C12H18ClN5 and a molecular weight of 267.76 g/mol. Its IUPAC name is 5-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
PubChem CID80828314
Molecular FormulaC12H18ClN5
Molecular Weight267.76 g/mol
Exact Mass267.13
IUPAC Name5-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
SMILESNc1ncc(Cl)c(N2CCC(N3CCCC3)C2)n1
InChIInChI=1S/C12H18ClN5/c13-10-7-15-12(14)16-11(10)18-6-3-9(8-18)17-4-1-2-5-17/h7,9H,1-6,8H2,(H2,14,15,16)
InChIKeyLDZVTTGQBAIFIQ-UHFFFAOYSA-N
XLogP1.39
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine (CID 80828314) is 5-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine is Nc1ncc(Cl)c(N2CCC(N3CCCC3)C2)n1.
What is the InChIKey of 5-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine?
The InChIKey is LDZVTTGQBAIFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5/c13-10-7-15-12(14)16-11(10)18-6-3-9(8-18)17-4-1-2-5-17/h7,9H,1-6,8H2,(H2,14,15,16).
What are the key properties of 5-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine?
5-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine has a molecular weight of 267.76 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 80828314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).