N,N-dimethyl-6-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C14H17N7S — CID 86773000

IUPACN,N-dimethyl-6-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1cn2nc(N3CCc4ncnc(N(C)C)c4C3)sc2n1
InChIInChI=1S/C14H17N7S/c1-9-6-21-13(17-9)22-14(18-21)20-5-4-11-10(7-20)12(19(2)3)16-8-15-11/h6,8H,4-5,7H2,1-3H3
InChIKeyOHYSHSXAJYUZLW-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.52
Rot. Bonds2

About N,N-dimethyl-6-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

N,N-dimethyl-6-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 86773000) has the molecular formula C14H17N7S and a molecular weight of 315.41 g/mol. Its IUPAC name is N,N-dimethyl-6-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID86773000
Molecular FormulaC14H17N7S
Molecular Weight315.41 g/mol
Exact Mass315.13
IUPAC NameN,N-dimethyl-6-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1cn2nc(N3CCc4ncnc(N(C)C)c4C3)sc2n1
InChIInChI=1S/C14H17N7S/c1-9-6-21-13(17-9)22-14(18-21)20-5-4-11-10(7-20)12(19(2)3)16-8-15-11/h6,8H,4-5,7H2,1-3H3
InChIKeyOHYSHSXAJYUZLW-UHFFFAOYSA-N
XLogP1.52
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,N-dimethyl-6-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-6-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 86773000) is N,N-dimethyl-6-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-6-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-6-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is Cc1cn2nc(N3CCc4ncnc(N(C)C)c4C3)sc2n1.
What is the InChIKey of N,N-dimethyl-6-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is OHYSHSXAJYUZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7S/c1-9-6-21-13(17-9)22-14(18-21)20-5-4-11-10(7-20)12(19(2)3)16-8-15-11/h6,8H,4-5,7H2,1-3H3.
What are the key properties of N,N-dimethyl-6-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
N,N-dimethyl-6-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 315.41 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 86773000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).