N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)adamantane-1-carboxamide

C18H23N3O — CID 659037

IUPACN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)adamantane-1-carboxamide
SMILESO=C(Nc1ncnc2c1CCC2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H23N3O/c22-17(21-16-14-2-1-3-15(14)19-10-20-16)18-7-11-4-12(8-18)6-13(5-11)9-18/h10-13H,1-9H2,(H,19,20,21,22)
InChIKeyIXKDKBSIWFCSDM-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.12
Rot. Bonds2

About N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)adamantane-1-carboxamide

N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)adamantane-1-carboxamide (PubChem CID 659037) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)adamantane-1-carboxamide
PubChem CID659037
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)adamantane-1-carboxamide
SMILESO=C(Nc1ncnc2c1CCC2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H23N3O/c22-17(21-16-14-2-1-3-15(14)19-10-20-16)18-7-11-4-12(8-18)6-13(5-11)9-18/h10-13H,1-9H2,(H,19,20,21,22)
InChIKeyIXKDKBSIWFCSDM-UHFFFAOYSA-N
XLogP3.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)adamantane-1-carboxamide?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)adamantane-1-carboxamide (CID 659037) is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)adamantane-1-carboxamide is O=C(Nc1ncnc2c1CCC2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)adamantane-1-carboxamide?
The InChIKey is IXKDKBSIWFCSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c22-17(21-16-14-2-1-3-15(14)19-10-20-16)18-7-11-4-12(8-18)6-13(5-11)9-18/h10-13H,1-9H2,(H,19,20,21,22).
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)adamantane-1-carboxamide?
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)adamantane-1-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)adamantane-1-carboxamide is sourced from PubChem (CID 659037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).