8-butyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidine-2,4-diamine

C12H14F3N5 — CID 122584979

IUPAC8-butyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCCCCc1cc(C(F)(F)F)nc2c(N)nc(N)nc12
InChIInChI=1S/C12H14F3N5/c1-2-3-4-6-5-7(12(13,14)15)18-9-8(6)19-11(17)20-10(9)16/h5H,2-4H2,1H3,(H4,16,17,19,20)
InChIKeyDAUHLDWBRRSKDU-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.55
Rot. Bonds3

About 8-butyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidine-2,4-diamine

8-butyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 122584979) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is 8-butyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name8-butyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
PubChem CID122584979
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC Name8-butyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCCCCc1cc(C(F)(F)F)nc2c(N)nc(N)nc12
InChIInChI=1S/C12H14F3N5/c1-2-3-4-6-5-7(12(13,14)15)18-9-8(6)19-11(17)20-10(9)16/h5H,2-4H2,1H3,(H4,16,17,19,20)
InChIKeyDAUHLDWBRRSKDU-UHFFFAOYSA-N
XLogP2.55
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-butyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 8-butyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidine-2,4-diamine (CID 122584979) is 8-butyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 8-butyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 8-butyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidine-2,4-diamine is CCCCc1cc(C(F)(F)F)nc2c(N)nc(N)nc12.
What is the InChIKey of 8-butyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is DAUHLDWBRRSKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-2-3-4-6-5-7(12(13,14)15)18-9-8(6)19-11(17)20-10(9)16/h5H,2-4H2,1H3,(H4,16,17,19,20).
What are the key properties of 8-butyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
8-butyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 285.27 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 122584979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).