N,5,6-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine

C18H18N6S2 — CID 166243723

IUPACN,5,6-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nnc(CN(C)c2nc(-c3cccnc3)nc3sc(C)c(C)c23)s1
InChIInChI=1S/C18H18N6S2/c1-10-11(2)25-18-15(10)17(24(4)9-14-23-22-12(3)26-14)20-16(21-18)13-6-5-7-19-8-13/h5-8H,9H2,1-4H3
InChIKeyUVAMDIUCGSWMBC-UHFFFAOYSA-N
MW382.52 g/mol
LogP4.17
Rot. Bonds4

About N,5,6-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine

N,5,6-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 166243723) has the molecular formula C18H18N6S2 and a molecular weight of 382.52 g/mol. Its IUPAC name is N,5,6-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,5,6-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID166243723
Molecular FormulaC18H18N6S2
Molecular Weight382.52 g/mol
Exact Mass382.10
IUPAC NameN,5,6-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nnc(CN(C)c2nc(-c3cccnc3)nc3sc(C)c(C)c23)s1
InChIInChI=1S/C18H18N6S2/c1-10-11(2)25-18-15(10)17(24(4)9-14-23-22-12(3)26-14)20-16(21-18)13-6-5-7-19-8-13/h5-8H,9H2,1-4H3
InChIKeyUVAMDIUCGSWMBC-UHFFFAOYSA-N
XLogP4.17
TPSA67.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.52
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N,5,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 166225267
N,5,6-trimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 166328871
2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetic acid
CID 166237581
2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 166186006
2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propan-1-ol
CID 166190654
4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide
CID 154807100
3-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 17410711
N-(4-fluorophenyl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 16553303
5,6-dimethyl-N-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 7927705
5,6-dimethyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 17481821
5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
CID 18191348
2-methyl-5-(pyridin-3-ylmethyl)-1,3,4-thiadiazole
CID 21365770

Frequently Asked Questions

What is the IUPAC name of N,5,6-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,5,6-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine (CID 166243723) is N,5,6-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,5,6-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,5,6-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine is Cc1nnc(CN(C)c2nc(-c3cccnc3)nc3sc(C)c(C)c23)s1.
What is the InChIKey of N,5,6-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UVAMDIUCGSWMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6S2/c1-10-11(2)25-18-15(10)17(24(4)9-14-23-22-12(3)26-14)20-16(21-18)13-6-5-7-19-8-13/h5-8H,9H2,1-4H3.
What are the key properties of N,5,6-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
N,5,6-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 382.52 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-trimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166243723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).