4-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine

C14H22N8S — CID 56760108

IUPAC4-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
SMILESCN(C)c1nc2c(c(NCCCc3nnc(N)s3)n1)CCNC2
InChIInChI=1S/C14H22N8S/c1-22(2)14-18-10-8-16-7-5-9(10)12(19-14)17-6-3-4-11-20-21-13(15)23-11/h16H,3-8H2,1-2H3,(H2,15,21)(H,17,18,19)
InChIKeyCNOYGQBZCYBOPB-UHFFFAOYSA-N
MW334.45 g/mol
LogP0.67
Rot. Bonds6

About 4-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine

4-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine (PubChem CID 56760108) has the molecular formula C14H22N8S and a molecular weight of 334.45 g/mol. Its IUPAC name is 4-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
PubChem CID56760108
Molecular FormulaC14H22N8S
Molecular Weight334.45 g/mol
Exact Mass334.17
IUPAC Name4-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
SMILESCN(C)c1nc2c(c(NCCCc3nnc(N)s3)n1)CCNC2
InChIInChI=1S/C14H22N8S/c1-22(2)14-18-10-8-16-7-5-9(10)12(19-14)17-6-3-4-11-20-21-13(15)23-11/h16H,3-8H2,1-2H3,(H2,15,21)(H,17,18,19)
InChIKeyCNOYGQBZCYBOPB-UHFFFAOYSA-N
XLogP0.67
TPSA104.88 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine (CID 56760108) is 4-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine is CN(C)c1nc2c(c(NCCCc3nnc(N)s3)n1)CCNC2.
What is the InChIKey of 4-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The InChIKey is CNOYGQBZCYBOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N8S/c1-22(2)14-18-10-8-16-7-5-9(10)12(19-14)17-6-3-4-11-20-21-13(15)23-11/h16H,3-8H2,1-2H3,(H2,15,21)(H,17,18,19).
What are the key properties of 4-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
4-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine has a molecular weight of 334.45 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 56760108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).