5-(2,2-difluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine

C9H13F2N5 — CID 141289874

IUPAC5-(2,2-difluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2c(n1)CCNC2CC(F)F
InChIInChI=1S/C9H13F2N5/c10-6(11)3-5-7-4(1-2-14-5)15-9(13)16-8(7)12/h5-6,14H,1-3H2,(H4,12,13,15,16)
InChIKeyZLEXCHXLIKSBBT-UHFFFAOYSA-N
MW229.23 g/mol
LogP0.48
Rot. Bonds2

About 5-(2,2-difluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine

5-(2,2-difluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine (PubChem CID 141289874) has the molecular formula C9H13F2N5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 5-(2,2-difluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(2,2-difluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
PubChem CID141289874
Molecular FormulaC9H13F2N5
Molecular Weight229.23 g/mol
Exact Mass229.11
IUPAC Name5-(2,2-difluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2c(n1)CCNC2CC(F)F
InChIInChI=1S/C9H13F2N5/c10-6(11)3-5-7-4(1-2-14-5)15-9(13)16-8(7)12/h5-6,14H,1-3H2,(H4,12,13,15,16)
InChIKeyZLEXCHXLIKSBBT-UHFFFAOYSA-N
XLogP0.48
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(2,2-difluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 5-(2,2-difluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine (CID 141289874) is 5-(2,2-difluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(2,2-difluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 5-(2,2-difluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine is Nc1nc(N)c2c(n1)CCNC2CC(F)F.
What is the InChIKey of 5-(2,2-difluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
The InChIKey is ZLEXCHXLIKSBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N5/c10-6(11)3-5-7-4(1-2-14-5)15-9(13)16-8(7)12/h5-6,14H,1-3H2,(H4,12,13,15,16).
What are the key properties of 5-(2,2-difluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
5-(2,2-difluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine has a molecular weight of 229.23 g/mol, XLogP of 0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 141289874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).