2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H23F3N8O2 — CID 85471496

IUPAC2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C1CCC(Oc2ncncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)CC1
InChIInChI=1S/C20H23F3N8O2/c1-30(2)11-3-5-12(6-4-11)33-19-13(9-25-10-26-19)27-18(32)15-16(24)29-31-8-7-14(20(21,22)23)28-17(15)31/h7-12H,3-6H2,1-2H3,(H2,24,29)(H,27,32)
InChIKeyQNCFDPKYRLUKPP-UHFFFAOYSA-N
MW464.45 g/mol
LogP2.62
Rot. Bonds5

About 2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 85471496) has the molecular formula C20H23F3N8O2 and a molecular weight of 464.45 g/mol. Its IUPAC name is 2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID85471496
Molecular FormulaC20H23F3N8O2
Molecular Weight464.45 g/mol
Exact Mass464.19
IUPAC Name2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C1CCC(Oc2ncncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)CC1
InChIInChI=1S/C20H23F3N8O2/c1-30(2)11-3-5-12(6-4-11)33-19-13(9-25-10-26-19)27-18(32)15-16(24)29-31-8-7-14(20(21,22)23)28-17(15)31/h7-12H,3-6H2,1-2H3,(H2,24,29)(H,27,32)
InChIKeyQNCFDPKYRLUKPP-UHFFFAOYSA-N
XLogP2.62
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 85471496) is 2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)C1CCC(Oc2ncncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)CC1.
What is the InChIKey of 2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QNCFDPKYRLUKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N8O2/c1-30(2)11-3-5-12(6-4-11)33-19-13(9-25-10-26-19)27-18(32)15-16(24)29-31-8-7-14(20(21,22)23)28-17(15)31/h7-12H,3-6H2,1-2H3,(H2,24,29)(H,27,32).
What are the key properties of 2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 464.45 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 85471496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).