N-cyclopropyl-9-(cyclopropylmethyl)-2-(trifluoromethyl)purin-6-amine

C13H14F3N5 — CID 3075664

IUPACN-cyclopropyl-9-(cyclopropylmethyl)-2-(trifluoromethyl)purin-6-amine
SMILESFC(F)(F)c1nc(NC2CC2)c2ncn(CC3CC3)c2n1
InChIInChI=1S/C13H14F3N5/c14-13(15,16)12-19-10(18-8-3-4-8)9-11(20-12)21(6-17-9)5-7-1-2-7/h6-8H,1-5H2,(H,18,19,20)
InChIKeyHEOSGBAADACZLN-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.83
Rot. Bonds4

About N-cyclopropyl-9-(cyclopropylmethyl)-2-(trifluoromethyl)purin-6-amine

N-cyclopropyl-9-(cyclopropylmethyl)-2-(trifluoromethyl)purin-6-amine (PubChem CID 3075664) has the molecular formula C13H14F3N5 and a molecular weight of 297.28 g/mol. Its IUPAC name is N-cyclopropyl-9-(cyclopropylmethyl)-2-(trifluoromethyl)purin-6-amine.

Molecular Properties

Compound NameN-cyclopropyl-9-(cyclopropylmethyl)-2-(trifluoromethyl)purin-6-amine
PubChem CID3075664
Molecular FormulaC13H14F3N5
Molecular Weight297.28 g/mol
Exact Mass297.12
IUPAC NameN-cyclopropyl-9-(cyclopropylmethyl)-2-(trifluoromethyl)purin-6-amine
SMILESFC(F)(F)c1nc(NC2CC2)c2ncn(CC3CC3)c2n1
InChIInChI=1S/C13H14F3N5/c14-13(15,16)12-19-10(18-8-3-4-8)9-11(20-12)21(6-17-9)5-7-1-2-7/h6-8H,1-5H2,(H,18,19,20)
InChIKeyHEOSGBAADACZLN-UHFFFAOYSA-N
XLogP2.83
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-9-(cyclopropylmethyl)-2-(trifluoromethyl)purin-6-amine?
The IUPAC name of N-cyclopropyl-9-(cyclopropylmethyl)-2-(trifluoromethyl)purin-6-amine (CID 3075664) is N-cyclopropyl-9-(cyclopropylmethyl)-2-(trifluoromethyl)purin-6-amine.
What is the SMILES notation for N-cyclopropyl-9-(cyclopropylmethyl)-2-(trifluoromethyl)purin-6-amine?
The canonical SMILES for N-cyclopropyl-9-(cyclopropylmethyl)-2-(trifluoromethyl)purin-6-amine is FC(F)(F)c1nc(NC2CC2)c2ncn(CC3CC3)c2n1.
What is the InChIKey of N-cyclopropyl-9-(cyclopropylmethyl)-2-(trifluoromethyl)purin-6-amine?
The InChIKey is HEOSGBAADACZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5/c14-13(15,16)12-19-10(18-8-3-4-8)9-11(20-12)21(6-17-9)5-7-1-2-7/h6-8H,1-5H2,(H,18,19,20).
What are the key properties of N-cyclopropyl-9-(cyclopropylmethyl)-2-(trifluoromethyl)purin-6-amine?
N-cyclopropyl-9-(cyclopropylmethyl)-2-(trifluoromethyl)purin-6-amine has a molecular weight of 297.28 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-9-(cyclopropylmethyl)-2-(trifluoromethyl)purin-6-amine is sourced from PubChem (CID 3075664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).