N-cyclopropyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

C18H19F3N8 — CID 126890839

IUPACN-cyclopropyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(N(C2CC2)C2CCN(c3ncnc4nc[nH]c34)CC2)ncn1
InChIInChI=1S/C18H19F3N8/c19-18(20,21)13-7-14(23-8-22-13)29(11-1-2-11)12-3-5-28(6-4-12)17-15-16(25-9-24-15)26-10-27-17/h7-12H,1-6H2,(H,24,25,26,27)
InChIKeyVKPRLJXTXQKUCV-UHFFFAOYSA-N
MW404.40 g/mol
LogP2.80
Rot. Bonds4

About N-cyclopropyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

N-cyclopropyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126890839) has the molecular formula C18H19F3N8 and a molecular weight of 404.40 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126890839
Molecular FormulaC18H19F3N8
Molecular Weight404.40 g/mol
Exact Mass404.17
IUPAC NameN-cyclopropyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(N(C2CC2)C2CCN(c3ncnc4nc[nH]c34)CC2)ncn1
InChIInChI=1S/C18H19F3N8/c19-18(20,21)13-7-14(23-8-22-13)29(11-1-2-11)12-3-5-28(6-4-12)17-15-16(25-9-24-15)26-10-27-17/h7-12H,1-6H2,(H,24,25,26,27)
InChIKeyVKPRLJXTXQKUCV-UHFFFAOYSA-N
XLogP2.80
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine with MolForge

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Related Compounds

N-cyclopropyl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 126851873
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
3-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrazine-2-carbonitrile
CID 126890835
N-cyclopropyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126891020
1-(7H-purin-6-yl)piperidine-4-carbonitrile
CID 48933380
2-cyclopropyl-N-methyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine
CID 172903790
6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-7H-purine
CID 94022802
6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-7H-purine
CID 72859199
cyclopropyl-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 126890785
N-cyclopropyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890840
6-[4-(2-methoxyethyl)piperidin-1-yl]-7H-purine
CID 166246145
6-(4-pyrazolidin-3-ylpiperidin-1-yl)-7H-purine
CID 133300022

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 126890839) is N-cyclopropyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cc(N(C2CC2)C2CCN(c3ncnc4nc[nH]c34)CC2)ncn1.
What is the InChIKey of N-cyclopropyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is VKPRLJXTXQKUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N8/c19-18(20,21)13-7-14(23-8-22-13)29(11-1-2-11)12-3-5-28(6-4-12)17-15-16(25-9-24-15)26-10-27-17/h7-12H,1-6H2,(H,24,25,26,27).
What are the key properties of N-cyclopropyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N-cyclopropyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 404.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126890839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).