3-[6-[2-(tetrazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol

C11H15N7O — CID 91770248

IUPAC3-[6-[2-(tetrazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESOC1CC(c2cc(NCCn3cnnn3)ncn2)C1
InChIInChI=1S/C11H15N7O/c19-9-3-8(4-9)10-5-11(14-6-13-10)12-1-2-18-7-15-16-17-18/h5-9,19H,1-4H2,(H,12,13,14)
InChIKeyFBBUQWSLWDCMEZ-UHFFFAOYSA-N
MW261.29 g/mol
LogP-0.19
Rot. Bonds5

About 3-[6-[2-(tetrazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol

3-[6-[2-(tetrazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91770248) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is 3-[6-[2-(tetrazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[2-(tetrazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91770248
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name3-[6-[2-(tetrazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESOC1CC(c2cc(NCCn3cnnn3)ncn2)C1
InChIInChI=1S/C11H15N7O/c19-9-3-8(4-9)10-5-11(14-6-13-10)12-1-2-18-7-15-16-17-18/h5-9,19H,1-4H2,(H,12,13,14)
InChIKeyFBBUQWSLWDCMEZ-UHFFFAOYSA-N
XLogP-0.19
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-methyl-6-{[2-(1H-pyrazol-3-yl)ethyl]amino}pyrimidin-4-yl)cyclobutanol
CID 91761641
3-[6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91792889
cis-3-(6-{4-[2-(1H-pyrazol-1-yl)ethyl]piperidin-1-yl}pyrimidin-4-yl)cyclobutanol
CID 91760497
3-{2-methyl-6-[4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl}cyclobutanol
CID 91771160
cis-3-(2-amino-6-{methyl[(4-methyl-1H-imidazol-2-yl)methyl]amino}pyrimidin-4-yl)cyclobutanol
CID 91772332
cis-3-(6-{methyl[(5-methyl-1H-pyrazol-3-yl)methyl]amino}pyrimidin-4-yl)cyclobutanol
CID 91772858
cis-3-{6-[{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}(methyl)amino]pyrimidin-4-yl}cyclobutanol
CID 91777521
3-{6-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]pyrimidin-4-yl}cyclobutanol
CID 91779167
cis-3-[2-amino-6-({2-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}amino)pyrimidin-4-yl]cyclobutanol
CID 91787120
3-{6-[3-(3,5-dimethyl-1H-pyrazol-1-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl}cyclobutanol
CID 91797710
3-(2-amino-6-{methyl[3-(1-methyl-1H-imidazol-2-yl)propyl]amino}pyrimidin-4-yl)cyclobutanol
CID 91764763
3-{6-[(2-Azepan-1-yl-1,1-dimethylethyl)amino]pyrimidin-4-yl}cyclobutanol
CID 91773679

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(tetrazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[2-(tetrazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91770248) is 3-[6-[2-(tetrazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[2-(tetrazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[2-(tetrazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is OC1CC(c2cc(NCCn3cnnn3)ncn2)C1.
What is the InChIKey of 3-[6-[2-(tetrazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is FBBUQWSLWDCMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c19-9-3-8(4-9)10-5-11(14-6-13-10)12-1-2-18-7-15-16-17-18/h5-9,19H,1-4H2,(H,12,13,14).
What are the key properties of 3-[6-[2-(tetrazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[2-(tetrazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 261.29 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-(tetrazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91770248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).