9-[2-(cyclopropylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine

C14H13F3N8 — CID 10383218

IUPAC9-[2-(cyclopropylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine
SMILESCNc1nc(C(F)(F)F)nc2c1ncn2-c1ccnc(NC2CC2)n1
InChIInChI=1S/C14H13F3N8/c1-18-10-9-11(24-12(23-10)14(15,16)17)25(6-20-9)8-4-5-19-13(22-8)21-7-2-3-7/h4-7H,2-3H2,1H3,(H,18,23,24)(H,19,21,22)
InChIKeyGIZJNACZMKUYGH-UHFFFAOYSA-N
MW350.31 g/mol
LogP2.24
Rot. Bonds4

About 9-[2-(cyclopropylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine

9-[2-(cyclopropylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine (PubChem CID 10383218) has the molecular formula C14H13F3N8 and a molecular weight of 350.31 g/mol. Its IUPAC name is 9-[2-(cyclopropylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine.

Molecular Properties

Compound Name9-[2-(cyclopropylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine
PubChem CID10383218
Molecular FormulaC14H13F3N8
Molecular Weight350.31 g/mol
Exact Mass350.12
IUPAC Name9-[2-(cyclopropylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine
SMILESCNc1nc(C(F)(F)F)nc2c1ncn2-c1ccnc(NC2CC2)n1
InChIInChI=1S/C14H13F3N8/c1-18-10-9-11(24-12(23-10)14(15,16)17)25(6-20-9)8-4-5-19-13(22-8)21-7-2-3-7/h4-7H,2-3H2,1H3,(H,18,23,24)(H,19,21,22)
InChIKeyGIZJNACZMKUYGH-UHFFFAOYSA-N
XLogP2.24
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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-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-2-ylamino)purin-2-yl]amino]butan-1-ol
CID 71517861
(2S)-2-[[9-propan-2-yl-6-(pyrimidin-2-ylamino)purin-2-yl]amino]butan-1-ol
CID 71518030
(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

Frequently Asked Questions

What is the IUPAC name of 9-[2-(cyclopropylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine?
The IUPAC name of 9-[2-(cyclopropylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine (CID 10383218) is 9-[2-(cyclopropylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine.
What is the SMILES notation for 9-[2-(cyclopropylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine?
The canonical SMILES for 9-[2-(cyclopropylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine is CNc1nc(C(F)(F)F)nc2c1ncn2-c1ccnc(NC2CC2)n1.
What is the InChIKey of 9-[2-(cyclopropylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine?
The InChIKey is GIZJNACZMKUYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N8/c1-18-10-9-11(24-12(23-10)14(15,16)17)25(6-20-9)8-4-5-19-13(22-8)21-7-2-3-7/h4-7H,2-3H2,1H3,(H,18,23,24)(H,19,21,22).
What are the key properties of 9-[2-(cyclopropylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine?
9-[2-(cyclopropylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine has a molecular weight of 350.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(cyclopropylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine is sourced from PubChem (CID 10383218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).