2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide

C14H17F3N4O — CID 157029878

IUPAC2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESCc1nc2c(c(NCC(=O)NC3(C(F)(F)F)CC3)n1)CCC2
InChIInChI=1S/C14H17F3N4O/c1-8-19-10-4-2-3-9(10)12(20-8)18-7-11(22)21-13(5-6-13)14(15,16)17/h2-7H2,1H3,(H,21,22)(H,18,19,20)
InChIKeyYNLNLBFGQFWNHL-UHFFFAOYSA-N
MW314.31 g/mol
LogP1.90
Rot. Bonds4

About 2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide

2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide (PubChem CID 157029878) has the molecular formula C14H17F3N4O and a molecular weight of 314.31 g/mol. Its IUPAC name is 2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide.

Molecular Properties

Compound Name2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide
PubChem CID157029878
Molecular FormulaC14H17F3N4O
Molecular Weight314.31 g/mol
Exact Mass314.14
IUPAC Name2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESCc1nc2c(c(NCC(=O)NC3(C(F)(F)F)CC3)n1)CCC2
InChIInChI=1S/C14H17F3N4O/c1-8-19-10-4-2-3-9(10)12(20-8)18-7-11(22)21-13(5-6-13)14(15,16)17/h2-7H2,1H3,(H,21,22)(H,18,19,20)
InChIKeyYNLNLBFGQFWNHL-UHFFFAOYSA-N
XLogP1.90
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
The IUPAC name of 2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide (CID 157029878) is 2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide.
What is the SMILES notation for 2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
The canonical SMILES for 2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide is Cc1nc2c(c(NCC(=O)NC3(C(F)(F)F)CC3)n1)CCC2.
What is the InChIKey of 2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
The InChIKey is YNLNLBFGQFWNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O/c1-8-19-10-4-2-3-9(10)12(20-8)18-7-11(22)21-13(5-6-13)14(15,16)17/h2-7H2,1H3,(H,21,22)(H,18,19,20).
What are the key properties of 2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide has a molecular weight of 314.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide is sourced from PubChem (CID 157029878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).