2-(furan-2-yl)-5-N-[2-[4-(tritritiomethoxy)phenyl]ethyl]-[1,3]oxazolo[5,4-d]pyrimidine-5,7-diamine

C18H17N5O3 — CID 11494174

IUPAC2-(furan-2-yl)-5-N-[2-[4-(tritritiomethoxy)phenyl]ethyl]-[1,3]oxazolo[5,4-d]pyrimidine-5,7-diamine
SMILES[3H]C([3H])([3H])Oc1ccc(CCNc2nc(N)c3nc(-c4ccco4)oc3n2)cc1
InChIInChI=1S/C18H17N5O3/c1-24-12-6-4-11(5-7-12)8-9-20-18-22-15(19)14-17(23-18)26-16(21-14)13-3-2-10-25-13/h2-7,10H,8-9H2,1H3,(H3,19,20,22,23)/i1T3
InChIKeyCONMGQNWOVIWSD-RLXJOQACSA-N
MW357.39 g/mol
LogP3.12
Rot. Bonds7

About 2-(furan-2-yl)-5-N-[2-[4-(tritritiomethoxy)phenyl]ethyl]-[1,3]oxazolo[5,4-d]pyrimidine-5,7-diamine

2-(furan-2-yl)-5-N-[2-[4-(tritritiomethoxy)phenyl]ethyl]-[1,3]oxazolo[5,4-d]pyrimidine-5,7-diamine (PubChem CID 11494174) has the molecular formula C18H17N5O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-N-[2-[4-(tritritiomethoxy)phenyl]ethyl]-[1,3]oxazolo[5,4-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-N-[2-[4-(tritritiomethoxy)phenyl]ethyl]-[1,3]oxazolo[5,4-d]pyrimidine-5,7-diamine
PubChem CID11494174
Molecular FormulaC18H17N5O3
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name2-(furan-2-yl)-5-N-[2-[4-(tritritiomethoxy)phenyl]ethyl]-[1,3]oxazolo[5,4-d]pyrimidine-5,7-diamine
SMILES[3H]C([3H])([3H])Oc1ccc(CCNc2nc(N)c3nc(-c4ccco4)oc3n2)cc1
InChIInChI=1S/C18H17N5O3/c1-24-12-6-4-11(5-7-12)8-9-20-18-22-15(19)14-17(23-18)26-16(21-14)13-3-2-10-25-13/h2-7,10H,8-9H2,1H3,(H3,19,20,22,23)/i1T3
InChIKeyCONMGQNWOVIWSD-RLXJOQACSA-N
XLogP3.12
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

8-(furan-2-yl)-2-N-[2-(4-methylphenyl)ethyl]-7H-purine-2,6-diamine
CID 18982117
2-(furan-2-yl)-5-N-[2-(furan-2-yl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145436762
[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenyl] 2,2-dimethylpropanoate
CID 15730022
5-N-[2-[4-[3-(diethylamino)propoxy]phenyl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 153381494
1-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 43178043
2-amino-4-[2-(furan-2-yl)-1,3-benzoxazol-5-yl]-2-methylbutan-1-ol
CID 68764801
6-(furan-2-yl)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine
CID 46906950
5-N-[2-[4-(2-ethoxyethylamino)phenyl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 153381515
5-(4-methylphenyl)-2-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
CID 140545114
[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methanol
CID 68886081
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921111
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-phenyl-1,3,5-triazin-2-amine
CID 117093130

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-N-[2-[4-(tritritiomethoxy)phenyl]ethyl]-[1,3]oxazolo[5,4-d]pyrimidine-5,7-diamine?
The IUPAC name of 2-(furan-2-yl)-5-N-[2-[4-(tritritiomethoxy)phenyl]ethyl]-[1,3]oxazolo[5,4-d]pyrimidine-5,7-diamine (CID 11494174) is 2-(furan-2-yl)-5-N-[2-[4-(tritritiomethoxy)phenyl]ethyl]-[1,3]oxazolo[5,4-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 2-(furan-2-yl)-5-N-[2-[4-(tritritiomethoxy)phenyl]ethyl]-[1,3]oxazolo[5,4-d]pyrimidine-5,7-diamine?
The canonical SMILES for 2-(furan-2-yl)-5-N-[2-[4-(tritritiomethoxy)phenyl]ethyl]-[1,3]oxazolo[5,4-d]pyrimidine-5,7-diamine is [3H]C([3H])([3H])Oc1ccc(CCNc2nc(N)c3nc(-c4ccco4)oc3n2)cc1.
What is the InChIKey of 2-(furan-2-yl)-5-N-[2-[4-(tritritiomethoxy)phenyl]ethyl]-[1,3]oxazolo[5,4-d]pyrimidine-5,7-diamine?
The InChIKey is CONMGQNWOVIWSD-RLXJOQACSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-24-12-6-4-11(5-7-12)8-9-20-18-22-15(19)14-17(23-18)26-16(21-14)13-3-2-10-25-13/h2-7,10H,8-9H2,1H3,(H3,19,20,22,23)/i1T3.
What are the key properties of 2-(furan-2-yl)-5-N-[2-[4-(tritritiomethoxy)phenyl]ethyl]-[1,3]oxazolo[5,4-d]pyrimidine-5,7-diamine?
2-(furan-2-yl)-5-N-[2-[4-(tritritiomethoxy)phenyl]ethyl]-[1,3]oxazolo[5,4-d]pyrimidine-5,7-diamine has a molecular weight of 357.39 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-N-[2-[4-(tritritiomethoxy)phenyl]ethyl]-[1,3]oxazolo[5,4-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 11494174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).