N-ethyl-6-methyl-4-(4-methylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine

C13H15N5S — CID 103330991

IUPACN-ethyl-6-methyl-4-(4-methylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(-n2cc(C)cn2)c2cc(C)sc2n1
InChIInChI=1S/C13H15N5S/c1-4-14-13-16-11(18-7-8(2)6-15-18)10-5-9(3)19-12(10)17-13/h5-7H,4H2,1-3H3,(H,14,16,17)
InChIKeyZUSJACXRCRFOHT-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.93
Rot. Bonds3

About N-ethyl-6-methyl-4-(4-methylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine

N-ethyl-6-methyl-4-(4-methylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103330991) has the molecular formula C13H15N5S and a molecular weight of 273.37 g/mol. Its IUPAC name is N-ethyl-6-methyl-4-(4-methylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-4-(4-methylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103330991
Molecular FormulaC13H15N5S
Molecular Weight273.37 g/mol
Exact Mass273.10
IUPAC NameN-ethyl-6-methyl-4-(4-methylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(-n2cc(C)cn2)c2cc(C)sc2n1
InChIInChI=1S/C13H15N5S/c1-4-14-13-16-11(18-7-8(2)6-15-18)10-5-9(3)19-12(10)17-13/h5-7H,4H2,1-3H3,(H,14,16,17)
InChIKeyZUSJACXRCRFOHT-UHFFFAOYSA-N
XLogP2.93
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxamide
CID 103331164
4-(4-chloropyrazol-1-yl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331008
4-(azepan-1-yl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103323872
4-(4-chloropyrazol-1-yl)-N,6-diethylthieno[2,3-d]pyrimidin-2-amine
CID 103331015
4-(4-iodopyrazol-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103331139
4-(2,4-dimethylpyrrolidin-1-yl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103330576
N-ethyl-6-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327476
4-(2,2-dimethylmorpholin-4-yl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103325205
4-N-(2,2-dimethylpropyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325438
2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 103324005
N-ethyl-6-methyl-4-propan-2-yloxythieno[2,3-d]pyrimidin-2-amine
CID 103331498
2-N-ethyl-4-N-(3-ethylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328434

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-4-(4-methylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-ethyl-6-methyl-4-(4-methylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine (CID 103330991) is N-ethyl-6-methyl-4-(4-methylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-6-methyl-4-(4-methylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-6-methyl-4-(4-methylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine is CCNc1nc(-n2cc(C)cn2)c2cc(C)sc2n1.
What is the InChIKey of N-ethyl-6-methyl-4-(4-methylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is ZUSJACXRCRFOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-4-14-13-16-11(18-7-8(2)6-15-18)10-5-9(3)19-12(10)17-13/h5-7H,4H2,1-3H3,(H,14,16,17).
What are the key properties of N-ethyl-6-methyl-4-(4-methylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine?
N-ethyl-6-methyl-4-(4-methylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 273.37 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-4-(4-methylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103330991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).