N-cyclopropyl-9-(2,4-dimethoxypyrimidin-5-yl)-2-(trifluoromethyl)purin-6-amine

C15H14F3N7O2 — CID 68525273

IUPACN-cyclopropyl-9-(2,4-dimethoxypyrimidin-5-yl)-2-(trifluoromethyl)purin-6-amine
SMILESCOc1ncc(-n2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)c(OC)n1
InChIInChI=1S/C15H14F3N7O2/c1-26-12-8(5-19-14(24-12)27-2)25-6-20-9-10(21-7-3-4-7)22-13(15(16,17)18)23-11(9)25/h5-7H,3-4H2,1-2H3,(H,21,22,23)
InChIKeyFCDYWOIXVAUEBT-UHFFFAOYSA-N
MW381.32 g/mol
LogP2.22
Rot. Bonds5

About N-cyclopropyl-9-(2,4-dimethoxypyrimidin-5-yl)-2-(trifluoromethyl)purin-6-amine

N-cyclopropyl-9-(2,4-dimethoxypyrimidin-5-yl)-2-(trifluoromethyl)purin-6-amine (PubChem CID 68525273) has the molecular formula C15H14F3N7O2 and a molecular weight of 381.32 g/mol. Its IUPAC name is N-cyclopropyl-9-(2,4-dimethoxypyrimidin-5-yl)-2-(trifluoromethyl)purin-6-amine.

Molecular Properties

Compound NameN-cyclopropyl-9-(2,4-dimethoxypyrimidin-5-yl)-2-(trifluoromethyl)purin-6-amine
PubChem CID68525273
Molecular FormulaC15H14F3N7O2
Molecular Weight381.32 g/mol
Exact Mass381.12
IUPAC NameN-cyclopropyl-9-(2,4-dimethoxypyrimidin-5-yl)-2-(trifluoromethyl)purin-6-amine
SMILESCOc1ncc(-n2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)c(OC)n1
InChIInChI=1S/C15H14F3N7O2/c1-26-12-8(5-19-14(24-12)27-2)25-6-20-9-10(21-7-3-4-7)22-13(15(16,17)18)23-11(9)25/h5-7H,3-4H2,1-2H3,(H,21,22,23)
InChIKeyFCDYWOIXVAUEBT-UHFFFAOYSA-N
XLogP2.22
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-9-(2,4-dimethoxypyrimidin-5-yl)-2-(trifluoromethyl)purin-6-amine?
The IUPAC name of N-cyclopropyl-9-(2,4-dimethoxypyrimidin-5-yl)-2-(trifluoromethyl)purin-6-amine (CID 68525273) is N-cyclopropyl-9-(2,4-dimethoxypyrimidin-5-yl)-2-(trifluoromethyl)purin-6-amine.
What is the SMILES notation for N-cyclopropyl-9-(2,4-dimethoxypyrimidin-5-yl)-2-(trifluoromethyl)purin-6-amine?
The canonical SMILES for N-cyclopropyl-9-(2,4-dimethoxypyrimidin-5-yl)-2-(trifluoromethyl)purin-6-amine is COc1ncc(-n2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)c(OC)n1.
What is the InChIKey of N-cyclopropyl-9-(2,4-dimethoxypyrimidin-5-yl)-2-(trifluoromethyl)purin-6-amine?
The InChIKey is FCDYWOIXVAUEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N7O2/c1-26-12-8(5-19-14(24-12)27-2)25-6-20-9-10(21-7-3-4-7)22-13(15(16,17)18)23-11(9)25/h5-7H,3-4H2,1-2H3,(H,21,22,23).
What are the key properties of N-cyclopropyl-9-(2,4-dimethoxypyrimidin-5-yl)-2-(trifluoromethyl)purin-6-amine?
N-cyclopropyl-9-(2,4-dimethoxypyrimidin-5-yl)-2-(trifluoromethyl)purin-6-amine has a molecular weight of 381.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-9-(2,4-dimethoxypyrimidin-5-yl)-2-(trifluoromethyl)purin-6-amine is sourced from PubChem (CID 68525273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).