4-(2,2,2-trifluoroethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-diamine

C9H10F3N5 — CID 154433299

IUPAC4-(2,2,2-trifluoroethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESNC1=NC(N)(CC(F)(F)F)c2ncccc2N1
InChIInChI=1S/C9H10F3N5/c10-9(11,12)4-8(14)6-5(2-1-3-15-6)16-7(13)17-8/h1-3H,4,14H2,(H3,13,16,17)
InChIKeyNVQMOYUZIJXXHS-UHFFFAOYSA-N
MW245.21 g/mol
LogP0.89
Rot. Bonds1

About 4-(2,2,2-trifluoroethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-diamine

4-(2,2,2-trifluoroethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 154433299) has the molecular formula C9H10F3N5 and a molecular weight of 245.21 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-diamine
PubChem CID154433299
Molecular FormulaC9H10F3N5
Molecular Weight245.21 g/mol
Exact Mass245.09
IUPAC Name4-(2,2,2-trifluoroethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESNC1=NC(N)(CC(F)(F)F)c2ncccc2N1
InChIInChI=1S/C9H10F3N5/c10-9(11,12)4-8(14)6-5(2-1-3-15-6)16-7(13)17-8/h1-3H,4,14H2,(H3,13,16,17)
InChIKeyNVQMOYUZIJXXHS-UHFFFAOYSA-N
XLogP0.89
TPSA89.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-(2,2,2-trifluoroethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-diamine (CID 154433299) is 4-(2,2,2-trifluoroethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(2,2,2-trifluoroethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-(2,2,2-trifluoroethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-diamine is NC1=NC(N)(CC(F)(F)F)c2ncccc2N1.
What is the InChIKey of 4-(2,2,2-trifluoroethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is NVQMOYUZIJXXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5/c10-9(11,12)4-8(14)6-5(2-1-3-15-6)16-7(13)17-8/h1-3H,4,14H2,(H3,13,16,17).
What are the key properties of 4-(2,2,2-trifluoroethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-diamine?
4-(2,2,2-trifluoroethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 245.21 g/mol, XLogP of 0.89, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 154433299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).