5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-2-amine

C10H15N3 — CID 57327898

IUPAC5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-2-amine
SMILESNc1ncc2c(n1)CCCCCC2
InChIInChI=1S/C10H15N3/c11-10-12-7-8-5-3-1-2-4-6-9(8)13-10/h7H,1-6H2,(H2,11,12,13)
InChIKeyQAKWXEQPNIBLJX-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.72
Rot. Bonds

About 5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-2-amine

5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-2-amine (PubChem CID 57327898) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-2-amine.

Molecular Properties

Compound Name5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-2-amine
PubChem CID57327898
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-2-amine
SMILESNc1ncc2c(n1)CCCCCC2
InChIInChI=1S/C10H15N3/c11-10-12-7-8-5-3-1-2-4-6-9(8)13-10/h7H,1-6H2,(H2,11,12,13)
InChIKeyQAKWXEQPNIBLJX-UHFFFAOYSA-N
XLogP1.72
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-2-amine?
The IUPAC name of 5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-2-amine (CID 57327898) is 5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-2-amine.
What is the SMILES notation for 5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-2-amine?
The canonical SMILES for 5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-2-amine is Nc1ncc2c(n1)CCCCCC2.
What is the InChIKey of 5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-2-amine?
The InChIKey is QAKWXEQPNIBLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c11-10-12-7-8-5-3-1-2-4-6-9(8)13-10/h7H,1-6H2,(H2,11,12,13).
What are the key properties of 5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-2-amine?
5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-2-amine has a molecular weight of 177.25 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-2-amine is sourced from PubChem (CID 57327898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).