4-chloro-6-pyrrolidin-1-ylpyrimidin-2-amine

C8H11ClN4 — CID 1481938

IUPAC4-chloro-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESNc1nc(Cl)cc(N2CCCC2)n1
InChIInChI=1S/C8H11ClN4/c9-6-5-7(12-8(10)11-6)13-3-1-2-4-13/h5H,1-4H2,(H2,10,11,12)
InChIKeyVYFKNMLIUPIVKM-UHFFFAOYSA-N
MW198.66 g/mol
LogP1.31
Rot. Bonds1

About 4-chloro-6-pyrrolidin-1-ylpyrimidin-2-amine

4-chloro-6-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 1481938) has the molecular formula C8H11ClN4 and a molecular weight of 198.66 g/mol. Its IUPAC name is 4-chloro-6-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID1481938
Molecular FormulaC8H11ClN4
Molecular Weight198.66 g/mol
Exact Mass198.07
IUPAC Name4-chloro-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESNc1nc(Cl)cc(N2CCCC2)n1
InChIInChI=1S/C8H11ClN4/c9-6-5-7(12-8(10)11-6)13-3-1-2-4-13/h5H,1-4H2,(H2,10,11,12)
InChIKeyVYFKNMLIUPIVKM-UHFFFAOYSA-N
XLogP1.31
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.66
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of 4-chloro-6-pyrrolidin-1-ylpyrimidin-2-amine (CID 1481938) is 4-chloro-6-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-pyrrolidin-1-ylpyrimidin-2-amine is Nc1nc(Cl)cc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-6-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is VYFKNMLIUPIVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4/c9-6-5-7(12-8(10)11-6)13-3-1-2-4-13/h5H,1-4H2,(H2,10,11,12).
What are the key properties of 4-chloro-6-pyrrolidin-1-ylpyrimidin-2-amine?
4-chloro-6-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 198.66 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 1481938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).