4-pyrrolidin-3-yl-3H-pyridine-2,4-diamine

C9H16N4 — CID 152780957

IUPAC4-pyrrolidin-3-yl-3H-pyridine-2,4-diamine
SMILESNC1=NC=CC(N)(C2CCNC2)C1
InChIInChI=1S/C9H16N4/c10-8-5-9(11,2-4-13-8)7-1-3-12-6-7/h2,4,7,12H,1,3,5-6,11H2,(H2,10,13)
InChIKeyBIPIRBPBFPCAQP-UHFFFAOYSA-N
MW180.25 g/mol
LogP-0.43
Rot. Bonds1

About 4-pyrrolidin-3-yl-3H-pyridine-2,4-diamine

4-pyrrolidin-3-yl-3H-pyridine-2,4-diamine (PubChem CID 152780957) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-pyrrolidin-3-yl-3H-pyridine-2,4-diamine.

Molecular Properties

Compound Name4-pyrrolidin-3-yl-3H-pyridine-2,4-diamine
PubChem CID152780957
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name4-pyrrolidin-3-yl-3H-pyridine-2,4-diamine
SMILESNC1=NC=CC(N)(C2CCNC2)C1
InChIInChI=1S/C9H16N4/c10-8-5-9(11,2-4-13-8)7-1-3-12-6-7/h2,4,7,12H,1,3,5-6,11H2,(H2,10,13)
InChIKeyBIPIRBPBFPCAQP-UHFFFAOYSA-N
XLogP-0.43
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-3-yl-3H-pyridine-2,4-diamine?
The IUPAC name of 4-pyrrolidin-3-yl-3H-pyridine-2,4-diamine (CID 152780957) is 4-pyrrolidin-3-yl-3H-pyridine-2,4-diamine.
What is the SMILES notation for 4-pyrrolidin-3-yl-3H-pyridine-2,4-diamine?
The canonical SMILES for 4-pyrrolidin-3-yl-3H-pyridine-2,4-diamine is NC1=NC=CC(N)(C2CCNC2)C1.
What is the InChIKey of 4-pyrrolidin-3-yl-3H-pyridine-2,4-diamine?
The InChIKey is BIPIRBPBFPCAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c10-8-5-9(11,2-4-13-8)7-1-3-12-6-7/h2,4,7,12H,1,3,5-6,11H2,(H2,10,13).
What are the key properties of 4-pyrrolidin-3-yl-3H-pyridine-2,4-diamine?
4-pyrrolidin-3-yl-3H-pyridine-2,4-diamine has a molecular weight of 180.25 g/mol, XLogP of -0.43, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-3-yl-3H-pyridine-2,4-diamine is sourced from PubChem (CID 152780957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).