5-butan-2-yl-4-N,4-N-diethyl-2-pyrazol-1-yl-6-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

C17H25F3N6 — CID 69254965

IUPAC5-butan-2-yl-4-N,4-N-diethyl-2-pyrazol-1-yl-6-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCC(C)c1c(NCC(F)(F)F)nc(-n2cccn2)nc1N(CC)CC
InChIInChI=1S/C17H25F3N6/c1-5-12(4)13-14(21-11-17(18,19)20)23-16(26-10-8-9-22-26)24-15(13)25(6-2)7-3/h8-10,12H,5-7,11H2,1-4H3,(H,21,23,24)
InChIKeyCLEOOEAZWVBNFP-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.00
Rot. Bonds8

About 5-butan-2-yl-4-N,4-N-diethyl-2-pyrazol-1-yl-6-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

5-butan-2-yl-4-N,4-N-diethyl-2-pyrazol-1-yl-6-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 69254965) has the molecular formula C17H25F3N6 and a molecular weight of 370.42 g/mol. Its IUPAC name is 5-butan-2-yl-4-N,4-N-diethyl-2-pyrazol-1-yl-6-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-butan-2-yl-4-N,4-N-diethyl-2-pyrazol-1-yl-6-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID69254965
Molecular FormulaC17H25F3N6
Molecular Weight370.42 g/mol
Exact Mass370.21
IUPAC Name5-butan-2-yl-4-N,4-N-diethyl-2-pyrazol-1-yl-6-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCC(C)c1c(NCC(F)(F)F)nc(-n2cccn2)nc1N(CC)CC
InChIInChI=1S/C17H25F3N6/c1-5-12(4)13-14(21-11-17(18,19)20)23-16(26-10-8-9-22-26)24-15(13)25(6-2)7-3/h8-10,12H,5-7,11H2,1-4H3,(H,21,23,24)
InChIKeyCLEOOEAZWVBNFP-UHFFFAOYSA-N
XLogP4.00
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-4-N,4-N-diethyl-2-pyrazol-1-yl-6-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-butan-2-yl-4-N,4-N-diethyl-2-pyrazol-1-yl-6-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 69254965) is 5-butan-2-yl-4-N,4-N-diethyl-2-pyrazol-1-yl-6-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-butan-2-yl-4-N,4-N-diethyl-2-pyrazol-1-yl-6-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-butan-2-yl-4-N,4-N-diethyl-2-pyrazol-1-yl-6-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCC(C)c1c(NCC(F)(F)F)nc(-n2cccn2)nc1N(CC)CC.
What is the InChIKey of 5-butan-2-yl-4-N,4-N-diethyl-2-pyrazol-1-yl-6-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is CLEOOEAZWVBNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N6/c1-5-12(4)13-14(21-11-17(18,19)20)23-16(26-10-8-9-22-26)24-15(13)25(6-2)7-3/h8-10,12H,5-7,11H2,1-4H3,(H,21,23,24).
What are the key properties of 5-butan-2-yl-4-N,4-N-diethyl-2-pyrazol-1-yl-6-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
5-butan-2-yl-4-N,4-N-diethyl-2-pyrazol-1-yl-6-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 370.42 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-4-N,4-N-diethyl-2-pyrazol-1-yl-6-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 69254965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).