3-[2-amino-6-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol

C17H20N8O — CID 91787192

IUPAC3-[2-amino-6-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESNc1nc(NCCc2nc(-c3cccnc3)n[nH]2)cc(C2CC(O)C2)n1
InChIInChI=1S/C17H20N8O/c18-17-21-13(11-6-12(26)7-11)8-15(23-17)20-5-3-14-22-16(25-24-14)10-2-1-4-19-9-10/h1-2,4,8-9,11-12,26H,3,5-7H2,(H,22,24,25)(H3,18,20,21,23)
InChIKeyAQPLQITUCPOXMX-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.13
Rot. Bonds6

About 3-[2-amino-6-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol

3-[2-amino-6-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91787192) has the molecular formula C17H20N8O and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-[2-amino-6-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-amino-6-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91787192
Molecular FormulaC17H20N8O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Name3-[2-amino-6-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESNc1nc(NCCc2nc(-c3cccnc3)n[nH]2)cc(C2CC(O)C2)n1
InChIInChI=1S/C17H20N8O/c18-17-21-13(11-6-12(26)7-11)8-15(23-17)20-5-3-14-22-16(25-24-14)10-2-1-4-19-9-10/h1-2,4,8-9,11-12,26H,3,5-7H2,(H,22,24,25)(H3,18,20,21,23)
InChIKeyAQPLQITUCPOXMX-UHFFFAOYSA-N
XLogP1.13
TPSA138.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-[2-amino-6-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol with MolForge

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Related Compounds

3-[2-amino-6-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91784009
3-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91761176
6-(3-aminocyclobutyl)-4-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 91765644
3-[2-amino-6-(3-phenylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91788557
6-(3-aminocyclobutyl)-4-N-[3-(pyridin-3-ylamino)propyl]pyrimidine-2,4-diamine
CID 91779112
3-[5-(2-bromoethyl)-1H-1,2,4-triazol-3-yl]pyridine
CID 123335634
N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 91790598
N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 91786282
3-[2-amino-6-[3-(4-methoxyphenyl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91787964
6-(3-aminocyclobutyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;dihydrochloride
CID 154903345
2-methyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 72918252
N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-2-chlorobenzamide
CID 91780839

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-amino-6-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91787192) is 3-[2-amino-6-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-amino-6-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-amino-6-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is Nc1nc(NCCc2nc(-c3cccnc3)n[nH]2)cc(C2CC(O)C2)n1.
What is the InChIKey of 3-[2-amino-6-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is AQPLQITUCPOXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O/c18-17-21-13(11-6-12(26)7-11)8-15(23-17)20-5-3-14-22-16(25-24-14)10-2-1-4-19-9-10/h1-2,4,8-9,11-12,26H,3,5-7H2,(H,22,24,25)(H3,18,20,21,23).
What are the key properties of 3-[2-amino-6-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-amino-6-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 352.40 g/mol, XLogP of 1.13, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91787192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).