N,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine

C14H17N5S — CID 103331095

IUPACN,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(-n2ccc(C(C)C)n2)c2cc(C)sc2n1
InChIInChI=1S/C14H17N5S/c1-8(2)11-5-6-19(18-11)12-10-7-9(3)20-13(10)17-14(15-4)16-12/h5-8H,1-4H3,(H,15,16,17)
InChIKeyAOEWVCVIQJTGMK-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.35
Rot. Bonds3

About N,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine

N,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103331095) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is N,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103331095
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC NameN,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(-n2ccc(C(C)C)n2)c2cc(C)sc2n1
InChIInChI=1S/C14H17N5S/c1-8(2)11-5-6-19(18-11)12-10-7-9(3)20-13(10)17-14(15-4)16-12/h5-8H,1-4H3,(H,15,16,17)
InChIKeyAOEWVCVIQJTGMK-UHFFFAOYSA-N
XLogP3.35
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-iodopyrazol-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103331139
4-(3,4-dimethylpyrrolidin-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103328825
2-chloro-6-ethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine
CID 103322814
1-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-ol
CID 103327446
4-(3-cyclopropylpyrazol-1-yl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331118
6-methyl-4-(3-methylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103331102
2-N,6-dimethyl-4-N,4-N-bis(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325508
2-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 103329718
[4-(3-propan-2-ylpyrazol-1-yl)quinazolin-2-yl]hydrazine
CID 80901736
4-methoxy-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103331394
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103327562
4-N-butan-2-yl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324085

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine (CID 103331095) is N,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine is CNc1nc(-n2ccc(C(C)C)n2)c2cc(C)sc2n1.
What is the InChIKey of N,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is AOEWVCVIQJTGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-8(2)11-5-6-19(18-11)12-10-7-9(3)20-13(10)17-14(15-4)16-12/h5-8H,1-4H3,(H,15,16,17).
What are the key properties of N,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine?
N,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 287.39 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103331095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).