2-(2-aminoethyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine

C10H16N4O — CID 105461902

IUPAC2-(2-aminoethyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine
SMILESNCCc1nc(N)c2c(n1)CCOCC2
InChIInChI=1S/C10H16N4O/c11-4-1-9-13-8-3-6-15-5-2-7(8)10(12)14-9/h1-6,11H2,(H2,12,13,14)
InChIKeyIDWQQUUHGOKGRT-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.32
Rot. Bonds2

About 2-(2-aminoethyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine

2-(2-aminoethyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine (PubChem CID 105461902) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-aminoethyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine
PubChem CID105461902
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-(2-aminoethyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine
SMILESNCCc1nc(N)c2c(n1)CCOCC2
InChIInChI=1S/C10H16N4O/c11-4-1-9-13-8-3-6-15-5-2-7(8)10(12)14-9/h1-6,11H2,(H2,12,13,14)
InChIKeyIDWQQUUHGOKGRT-UHFFFAOYSA-N
XLogP-0.32
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-aminopropyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine
CID 105479388
2-(3-aminopropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 105461903
2-(4-methoxy-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl)ethanamine
CID 105462878
2-(2-methoxyethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471922
2-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472008
2-(2-aminoethyl)-5,6,8,9-tetrahydro-3H-oxepino[4,5-d]pyrimidin-4-one
CID 136866602
2-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)acetic acid
CID 105462637
2-[(4-chlorophenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471831
2-(ethoxymethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472035
2-(ethylsulfanylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471981
2-[2-(methylamino)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 105476582
2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)ethanamine
CID 83914930

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-aminoethyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine (CID 105461902) is 2-(2-aminoethyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-aminoethyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-aminoethyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine is NCCc1nc(N)c2c(n1)CCOCC2.
What is the InChIKey of 2-(2-aminoethyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine?
The InChIKey is IDWQQUUHGOKGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-4-1-9-13-8-3-6-15-5-2-7(8)10(12)14-9/h1-6,11H2,(H2,12,13,14).
What are the key properties of 2-(2-aminoethyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine?
2-(2-aminoethyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine has a molecular weight of 208.26 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine is sourced from PubChem (CID 105461902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).