N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide

C18H21FN4O — CID 72870160

IUPACN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
SMILESCN(C)C(C(=O)NCc1ncc2c(n1)CCC2)c1ccc(F)cc1
InChIInChI=1S/C18H21FN4O/c1-23(2)17(12-6-8-14(19)9-7-12)18(24)21-11-16-20-10-13-4-3-5-15(13)22-16/h6-10,17H,3-5,11H2,1-2H3,(H,21,24)
InChIKeyPVGVLCMHYVJSOB-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.02
Rot. Bonds5

About N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide

N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide (PubChem CID 72870160) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
PubChem CID72870160
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
SMILESCN(C)C(C(=O)NCc1ncc2c(n1)CCC2)c1ccc(F)cc1
InChIInChI=1S/C18H21FN4O/c1-23(2)17(12-6-8-14(19)9-7-12)18(24)21-11-16-20-10-13-4-3-5-15(13)22-16/h6-10,17H,3-5,11H2,1-2H3,(H,21,24)
InChIKeyPVGVLCMHYVJSOB-UHFFFAOYSA-N
XLogP2.02
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide (CID 72870160) is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide is CN(C)C(C(=O)NCc1ncc2c(n1)CCC2)c1ccc(F)cc1.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide?
The InChIKey is PVGVLCMHYVJSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-23(2)17(12-6-8-14(19)9-7-12)18(24)21-11-16-20-10-13-4-3-5-15(13)22-16/h6-10,17H,3-5,11H2,1-2H3,(H,21,24).
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide?
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide has a molecular weight of 328.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 72870160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).