[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrimidin-4-yl]methanamine

C13H20N4 — CID 107542080

IUPAC[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrimidin-4-yl]methanamine
SMILESNCc1ccnc(N2CCCC3CCCC32)n1
InChIInChI=1S/C13H20N4/c14-9-11-6-7-15-13(16-11)17-8-2-4-10-3-1-5-12(10)17/h6-7,10,12H,1-5,8-9,14H2
InChIKeyJDNQGHNKKDCVEB-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.70
Rot. Bonds2

About [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrimidin-4-yl]methanamine

[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrimidin-4-yl]methanamine (PubChem CID 107542080) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrimidin-4-yl]methanamine
PubChem CID107542080
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrimidin-4-yl]methanamine
SMILESNCc1ccnc(N2CCCC3CCCC32)n1
InChIInChI=1S/C13H20N4/c14-9-11-6-7-15-13(16-11)17-8-2-4-10-3-1-5-12(10)17/h6-7,10,12H,1-5,8-9,14H2
InChIKeyJDNQGHNKKDCVEB-UHFFFAOYSA-N
XLogP1.70
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrimidin-4-yl]methanamine with MolForge

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Related Compounds

2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 116796481
[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine
CID 65319251
[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine
CID 65318914
[2-(2-methylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542053
[2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542232
[2-(2,4-dimethylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107542257
[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-chloro-4-pyridinyl]methanamine
CID 107055207
2-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde
CID 113387652
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-bromopyrimidin-4-amine
CID 116796943
[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 83188721
[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2-pyridinyl]methanamine
CID 63888042
[2-(3-ethylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107542226

Frequently Asked Questions

What is the IUPAC name of [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrimidin-4-yl]methanamine?
The IUPAC name of [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrimidin-4-yl]methanamine (CID 107542080) is [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrimidin-4-yl]methanamine is NCc1ccnc(N2CCCC3CCCC32)n1.
What is the InChIKey of [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrimidin-4-yl]methanamine?
The InChIKey is JDNQGHNKKDCVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c14-9-11-6-7-15-13(16-11)17-8-2-4-10-3-1-5-12(10)17/h6-7,10,12H,1-5,8-9,14H2.
What are the key properties of [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrimidin-4-yl]methanamine?
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrimidin-4-yl]methanamine has a molecular weight of 232.33 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 107542080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).