1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-6-ol

C16H23N7O2 — CID 74236566

IUPAC1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-6-ol
SMILESCc1noc(CN2CCN(c3nc(N)nc4c3CCC4)CC(O)C2)n1
InChIInChI=1S/C16H23N7O2/c1-10-18-14(25-21-10)9-22-5-6-23(8-11(24)7-22)15-12-3-2-4-13(12)19-16(17)20-15/h11,24H,2-9H2,1H3,(H2,17,19,20)
InChIKeyCYPKDHHBTHSQDS-UHFFFAOYSA-N
MW345.41 g/mol
LogP-0.08
Rot. Bonds3

About 1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-6-ol

1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-6-ol (PubChem CID 74236566) has the molecular formula C16H23N7O2 and a molecular weight of 345.41 g/mol. Its IUPAC name is 1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-6-ol.

Molecular Properties

Compound Name1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-6-ol
PubChem CID74236566
Molecular FormulaC16H23N7O2
Molecular Weight345.41 g/mol
Exact Mass345.19
IUPAC Name1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-6-ol
SMILESCc1noc(CN2CCN(c3nc(N)nc4c3CCC4)CC(O)C2)n1
InChIInChI=1S/C16H23N7O2/c1-10-18-14(25-21-10)9-22-5-6-23(8-11(24)7-22)15-12-3-2-4-13(12)19-16(17)20-15/h11,24H,2-9H2,1H3,(H2,17,19,20)
InChIKeyCYPKDHHBTHSQDS-UHFFFAOYSA-N
XLogP-0.08
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-6-ol?
The IUPAC name of 1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-6-ol (CID 74236566) is 1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-6-ol.
What is the SMILES notation for 1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-6-ol?
The canonical SMILES for 1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-6-ol is Cc1noc(CN2CCN(c3nc(N)nc4c3CCC4)CC(O)C2)n1.
What is the InChIKey of 1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-6-ol?
The InChIKey is CYPKDHHBTHSQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O2/c1-10-18-14(25-21-10)9-22-5-6-23(8-11(24)7-22)15-12-3-2-4-13(12)19-16(17)20-15/h11,24H,2-9H2,1H3,(H2,17,19,20).
What are the key properties of 1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-6-ol?
1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-6-ol has a molecular weight of 345.41 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-6-ol is sourced from PubChem (CID 74236566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).