6-(3-aminocyclobutyl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine;dihydrochloride

C14H22Cl2N6O2 — CID 154902209

IUPAC6-(3-aminocyclobutyl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine;dihydrochloride
SMILESCOCCc1nc(CNc2cc(C3CC(N)C3)ncn2)no1.Cl.Cl
InChIInChI=1S/C14H20N6O2.2ClH/c1-21-3-2-14-19-13(20-22-14)7-16-12-6-11(17-8-18-12)9-4-10(15)5-9;;/h6,8-10H,2-5,7,15H2,1H3,(H,16,17,18);2*1H
InChIKeyJXLYGTBGOZXWDG-UHFFFAOYSA-N
MW377.28 g/mol
LogP1.71
Rot. Bonds7

About 6-(3-aminocyclobutyl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine;dihydrochloride

6-(3-aminocyclobutyl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine;dihydrochloride (PubChem CID 154902209) has the molecular formula C14H22Cl2N6O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine;dihydrochloride
PubChem CID154902209
Molecular FormulaC14H22Cl2N6O2
Molecular Weight377.28 g/mol
Exact Mass376.12
IUPAC Name6-(3-aminocyclobutyl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine;dihydrochloride
SMILESCOCCc1nc(CNc2cc(C3CC(N)C3)ncn2)no1.Cl.Cl
InChIInChI=1S/C14H20N6O2.2ClH/c1-21-3-2-14-19-13(20-22-14)7-16-12-6-11(17-8-18-12)9-4-10(15)5-9;;/h6,8-10H,2-5,7,15H2,1H3,(H,16,17,18);2*1H
InChIKeyJXLYGTBGOZXWDG-UHFFFAOYSA-N
XLogP1.71
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine;dihydrochloride?
The IUPAC name of 6-(3-aminocyclobutyl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine;dihydrochloride (CID 154902209) is 6-(3-aminocyclobutyl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine;dihydrochloride?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine;dihydrochloride is COCCc1nc(CNc2cc(C3CC(N)C3)ncn2)no1.Cl.Cl.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine;dihydrochloride?
The InChIKey is JXLYGTBGOZXWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2.2ClH/c1-21-3-2-14-19-13(20-22-14)7-16-12-6-11(17-8-18-12)9-4-10(15)5-9;;/h6,8-10H,2-5,7,15H2,1H3,(H,16,17,18);2*1H.
What are the key properties of 6-(3-aminocyclobutyl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine;dihydrochloride?
6-(3-aminocyclobutyl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine;dihydrochloride has a molecular weight of 377.28 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 154902209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).