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

C18H18F3N5O — CID 157030147

IUPAC2-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESO=C(CNc1nc(-c2ccccn2)nc2c1CCC2)NC1(C(F)(F)F)CC1
InChIInChI=1S/C18H18F3N5O/c19-18(20,21)17(7-8-17)26-14(27)10-23-15-11-4-3-6-12(11)24-16(25-15)13-5-1-2-9-22-13/h1-2,5,9H,3-4,6-8,10H2,(H,26,27)(H,23,24,25)
InChIKeyVLAURQQZBCCPOV-UHFFFAOYSA-N
MW377.37 g/mol
LogP2.65
Rot. Bonds5

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

2-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide (PubChem CID 157030147) has the molecular formula C18H18F3N5O and a molecular weight of 377.37 g/mol. Its IUPAC name is 2-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide.

Molecular Properties

Compound Name2-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide
PubChem CID157030147
Molecular FormulaC18H18F3N5O
Molecular Weight377.37 g/mol
Exact Mass377.15
IUPAC Name2-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESO=C(CNc1nc(-c2ccccn2)nc2c1CCC2)NC1(C(F)(F)F)CC1
InChIInChI=1S/C18H18F3N5O/c19-18(20,21)17(7-8-17)26-14(27)10-23-15-11-4-3-6-12(11)24-16(25-15)13-5-1-2-9-22-13/h1-2,5,9H,3-4,6-8,10H2,(H,26,27)(H,23,24,25)
InChIKeyVLAURQQZBCCPOV-UHFFFAOYSA-N
XLogP2.65
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
The IUPAC name of 2-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide (CID 157030147) is 2-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide.
What is the SMILES notation for 2-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
The canonical SMILES for 2-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide is O=C(CNc1nc(-c2ccccn2)nc2c1CCC2)NC1(C(F)(F)F)CC1.
What is the InChIKey of 2-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
The InChIKey is VLAURQQZBCCPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O/c19-18(20,21)17(7-8-17)26-14(27)10-23-15-11-4-3-6-12(11)24-16(25-15)13-5-1-2-9-22-13/h1-2,5,9H,3-4,6-8,10H2,(H,26,27)(H,23,24,25).
What are the key properties of 2-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
2-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide has a molecular weight of 377.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide is sourced from PubChem (CID 157030147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).