2-N,2-N,5,6-tetramethyl-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine

C14H19N7S — CID 50949112

IUPAC2-N,2-N,5,6-tetramethyl-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1nn2cc(CNc3nc(N(C)C)nc(C)c3C)nc2s1
InChIInChI=1S/C14H19N7S/c1-8-9(2)16-13(20(4)5)18-12(8)15-6-11-7-21-14(17-11)22-10(3)19-21/h7H,6H2,1-5H3,(H,15,16,18)
InChIKeyLFFURRQGHPYCOK-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.18
Rot. Bonds4

About 2-N,2-N,5,6-tetramethyl-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine

2-N,2-N,5,6-tetramethyl-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 50949112) has the molecular formula C14H19N7S and a molecular weight of 317.42 g/mol. Its IUPAC name is 2-N,2-N,5,6-tetramethyl-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,5,6-tetramethyl-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine
PubChem CID50949112
Molecular FormulaC14H19N7S
Molecular Weight317.42 g/mol
Exact Mass317.14
IUPAC Name2-N,2-N,5,6-tetramethyl-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1nn2cc(CNc3nc(N(C)C)nc(C)c3C)nc2s1
InChIInChI=1S/C14H19N7S/c1-8-9(2)16-13(20(4)5)18-12(8)15-6-11-7-21-14(17-11)22-10(3)19-21/h7H,6H2,1-5H3,(H,15,16,18)
InChIKeyLFFURRQGHPYCOK-UHFFFAOYSA-N
XLogP2.18
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methanamine;hydrochloride
CID 82020552
(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methanamine;hydrate;dihydrochloride
CID 47000658
2-methyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646490
2-N,2-N,5,6-tetramethyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 39818289
4-N-(2-imidazol-1-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine
CID 39755706
2,3,5-trimethyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70729875
2-cyano-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide
CID 110873488
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]butanamide
CID 119063424
ethyl 2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)acetate
CID 13426063
2-N,2-N,5,6-tetramethyl-4-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 50981416
1-(4-chlorophenyl)-3-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]urea
CID 110874818
4-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine
CID 50948912

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,5,6-tetramethyl-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N,5,6-tetramethyl-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine (CID 50949112) is 2-N,2-N,5,6-tetramethyl-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,5,6-tetramethyl-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N,5,6-tetramethyl-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine is Cc1nn2cc(CNc3nc(N(C)C)nc(C)c3C)nc2s1.
What is the InChIKey of 2-N,2-N,5,6-tetramethyl-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is LFFURRQGHPYCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7S/c1-8-9(2)16-13(20(4)5)18-12(8)15-6-11-7-21-14(17-11)22-10(3)19-21/h7H,6H2,1-5H3,(H,15,16,18).
What are the key properties of 2-N,2-N,5,6-tetramethyl-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine?
2-N,2-N,5,6-tetramethyl-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 317.42 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,5,6-tetramethyl-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 50949112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).