5,6-dimethyl-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]thieno[2,3-d]pyrimidin-4-amine

C16H19N5S — CID 32874395

IUPAC5,6-dimethyl-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(N[C@@H]3CCCc4c3cnn4C)c2c1C
InChIInChI=1S/C16H19N5S/c1-9-10(2)22-16-14(9)15(17-8-18-16)20-12-5-4-6-13-11(12)7-19-21(13)3/h7-8,12H,4-6H2,1-3H3,(H,17,18,20)/t12-/m1/s1
InChIKeyRYPHSXSLNZBWLA-GFCCVEGCSA-N
MW313.43 g/mol
LogP3.53
Rot. Bonds2

About 5,6-dimethyl-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 32874395) has the molecular formula C16H19N5S and a molecular weight of 313.43 g/mol. Its IUPAC name is 5,6-dimethyl-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID32874395
Molecular FormulaC16H19N5S
Molecular Weight313.43 g/mol
Exact Mass313.14
IUPAC Name5,6-dimethyl-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(N[C@@H]3CCCc4c3cnn4C)c2c1C
InChIInChI=1S/C16H19N5S/c1-9-10(2)22-16-14(9)15(17-8-18-16)20-12-5-4-6-13-11(12)7-19-21(13)3/h7-8,12H,4-6H2,1-3H3,(H,17,18,20)/t12-/m1/s1
InChIKeyRYPHSXSLNZBWLA-GFCCVEGCSA-N
XLogP3.53
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,6-dimethyl-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-cyclohexyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 712429
4-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
CID 62318881
4-N,4-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzene-1,4-diamine
CID 43617025
N-(4-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254699
1-methyl-N-(4-methyl-3-pyridinyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 63329281
N-(2-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254701
(4S)-1-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine
CID 32874371
N-(cyclopropylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 43112058
1-methyl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254492
N-(1-cyclohexylethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 63540281
N-heptan-4-yl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43727357
(2R)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide;hydrochloride
CID 119293132

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]thieno[2,3-d]pyrimidin-4-amine (CID 32874395) is 5,6-dimethyl-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]thieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(N[C@@H]3CCCc4c3cnn4C)c2c1C.
What is the InChIKey of 5,6-dimethyl-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RYPHSXSLNZBWLA-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N5S/c1-9-10(2)22-16-14(9)15(17-8-18-16)20-12-5-4-6-13-11(12)7-19-21(13)3/h7-8,12H,4-6H2,1-3H3,(H,17,18,20)/t12-/m1/s1.
What are the key properties of 5,6-dimethyl-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 313.43 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 32874395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).