6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine

C11H13N5 — CID 173133421

IUPAC6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2cnc(N3CCCC3)cc12
InChIInChI=1S/C11H13N5/c12-11-8-5-10(16-3-1-2-4-16)13-6-9(8)14-7-15-11/h5-7H,1-4H2,(H2,12,14,15)
InChIKeyUETPJMDRXQLGDQ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.21
Rot. Bonds1

About 6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine

6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 173133421) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID173133421
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2cnc(N3CCCC3)cc12
InChIInChI=1S/C11H13N5/c12-11-8-5-10(16-3-1-2-4-16)13-6-9(8)14-7-15-11/h5-7H,1-4H2,(H2,12,14,15)
InChIKeyUETPJMDRXQLGDQ-UHFFFAOYSA-N
XLogP1.21
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-pyrrolidin-1-ylquinazolin-4-amine
CID 20718876
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
2,4-dichloro-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine
CID 170156033
5-fluoro-2-pyrrolidin-1-ylpyridin-4-amine
CID 162439734
6-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
CID 102078238
ethane;5-piperidin-1-ylpyrazin-2-amine
CID 143786995
6-pyrrolidin-1-ylpyrimidine-4-carbothioamide
CID 130551236
(1S)-1-(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)ethanamine
CID 124501941
(1R)-1-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanamine
CID 124501966
6-piperazin-1-ylquinazolin-4-amine
CID 175939020
1-(6-piperidin-1-ylpyrimidin-4-yl)azetidin-3-amine
CID 174573496
[6-(azepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80927859

Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine (CID 173133421) is 6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine is Nc1ncnc2cnc(N3CCCC3)cc12.
What is the InChIKey of 6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is UETPJMDRXQLGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c12-11-8-5-10(16-3-1-2-4-16)13-6-9(8)14-7-15-11/h5-7H,1-4H2,(H2,12,14,15).
What are the key properties of 6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine?
6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 215.26 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 173133421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).