N-pyrrolidin-3-ylpyrimidin-2-amine

C8H12N4 — CID 62381001

IUPACN-pyrrolidin-3-ylpyrimidin-2-amine
SMILESc1cnc(NC2CCNC2)nc1
InChIInChI=1S/C8H12N4/c1-3-10-8(11-4-1)12-7-2-5-9-6-7/h1,3-4,7,9H,2,5-6H2,(H,10,11,12)
InChIKeyYDGWWNRXHXZWPS-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.25
Rot. Bonds2

About N-pyrrolidin-3-ylpyrimidin-2-amine

N-pyrrolidin-3-ylpyrimidin-2-amine (PubChem CID 62381001) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is N-pyrrolidin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-pyrrolidin-3-ylpyrimidin-2-amine
PubChem CID62381001
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC NameN-pyrrolidin-3-ylpyrimidin-2-amine
SMILESc1cnc(NC2CCNC2)nc1
InChIInChI=1S/C8H12N4/c1-3-10-8(11-4-1)12-7-2-5-9-6-7/h1,3-4,7,9H,2,5-6H2,(H,10,11,12)
InChIKeyYDGWWNRXHXZWPS-UHFFFAOYSA-N
XLogP0.25
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-ylpyrimidin-2-amine?
The IUPAC name of N-pyrrolidin-3-ylpyrimidin-2-amine (CID 62381001) is N-pyrrolidin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-pyrrolidin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-pyrrolidin-3-ylpyrimidin-2-amine is c1cnc(NC2CCNC2)nc1.
What is the InChIKey of N-pyrrolidin-3-ylpyrimidin-2-amine?
The InChIKey is YDGWWNRXHXZWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-3-10-8(11-4-1)12-7-2-5-9-6-7/h1,3-4,7,9H,2,5-6H2,(H,10,11,12).
What are the key properties of N-pyrrolidin-3-ylpyrimidin-2-amine?
N-pyrrolidin-3-ylpyrimidin-2-amine has a molecular weight of 164.21 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 62381001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).