N-cyclopropyl-9-(2-methylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine

C14H12F3N7 — CID 10359568

IUPACN-cyclopropyl-9-(2-methylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine
SMILESCc1nccc(-n2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)n1
InChIInChI=1S/C14H12F3N7/c1-7-18-5-4-9(20-7)24-6-19-10-11(21-8-2-3-8)22-13(14(15,16)17)23-12(10)24/h4-6,8H,2-3H2,1H3,(H,21,22,23)
InChIKeyLLITYJWUFQEXRU-UHFFFAOYSA-N
MW335.29 g/mol
LogP2.51
Rot. Bonds3

About N-cyclopropyl-9-(2-methylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine

N-cyclopropyl-9-(2-methylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine (PubChem CID 10359568) has the molecular formula C14H12F3N7 and a molecular weight of 335.29 g/mol. Its IUPAC name is N-cyclopropyl-9-(2-methylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine.

Molecular Properties

Compound NameN-cyclopropyl-9-(2-methylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine
PubChem CID10359568
Molecular FormulaC14H12F3N7
Molecular Weight335.29 g/mol
Exact Mass335.11
IUPAC NameN-cyclopropyl-9-(2-methylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine
SMILESCc1nccc(-n2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)n1
InChIInChI=1S/C14H12F3N7/c1-7-18-5-4-9(20-7)24-6-19-10-11(21-8-2-3-8)22-13(14(15,16)17)23-12(10)24/h4-6,8H,2-3H2,1H3,(H,21,22,23)
InChIKeyLLITYJWUFQEXRU-UHFFFAOYSA-N
XLogP2.51
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N2-[(1S)-1-(5-Fluoropyrimidin-2-yl)ethyl]-N4-(1-methyl-1H-imidazol-4-yl)pteridine-2,4-diamine
CID 68254533
2-chloro-9-propan-2-yl-N-pyrimidin-5-ylpurin-6-amine
CID 71517520
9-propan-2-yl-2-N,6-N-di(pyrimidin-5-yl)purine-2,6-diamine
CID 71518533
2-Methyl-2-[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]propan-1-ol
CID 71717942
2-N-(6-methylpyrazin-2-yl)-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 162650803
2-N-(4-methylpyrimidin-2-yl)-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 162658372
2-chloro-9-propan-2-yl-N-pyrimidin-2-ylpurin-6-amine
CID 71517518
2-chloro-9-propan-2-yl-N-pyrimidin-4-ylpurin-6-amine
CID 71517519
2-chloro-9-propan-2-yl-N-pyrazin-2-ylpurin-6-amine
CID 71517683
(2R)-2-[[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]amino]butan-1-ol
CID 71518033
(2S)-2-[[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]amino]butan-1-ol
CID 71518034
2-N-pyrazin-2-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 162669374

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-9-(2-methylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine?
The IUPAC name of N-cyclopropyl-9-(2-methylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine (CID 10359568) is N-cyclopropyl-9-(2-methylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine.
What is the SMILES notation for N-cyclopropyl-9-(2-methylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine?
The canonical SMILES for N-cyclopropyl-9-(2-methylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine is Cc1nccc(-n2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)n1.
What is the InChIKey of N-cyclopropyl-9-(2-methylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine?
The InChIKey is LLITYJWUFQEXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N7/c1-7-18-5-4-9(20-7)24-6-19-10-11(21-8-2-3-8)22-13(14(15,16)17)23-12(10)24/h4-6,8H,2-3H2,1H3,(H,21,22,23).
What are the key properties of N-cyclopropyl-9-(2-methylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine?
N-cyclopropyl-9-(2-methylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine has a molecular weight of 335.29 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-9-(2-methylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine is sourced from PubChem (CID 10359568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).