2-(1,3-dimethylpyrazol-4-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C12H15N5S — CID 83201574

IUPAC2-(1,3-dimethylpyrazol-4-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(-c2cn(C)nc2C)nc2c1CSC2
InChIInChI=1S/C12H15N5S/c1-7-8(4-17(3)16-7)12-14-10-6-18-5-9(10)11(13-2)15-12/h4H,5-6H2,1-3H3,(H,13,14,15)
InChIKeyXRGLVPKIYYMWNT-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.97
Rot. Bonds2

About 2-(1,3-dimethylpyrazol-4-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-(1,3-dimethylpyrazol-4-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83201574) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83201574
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(-c2cn(C)nc2C)nc2c1CSC2
InChIInChI=1S/C12H15N5S/c1-7-8(4-17(3)16-7)12-14-10-6-18-5-9(10)11(13-2)15-12/h4H,5-6H2,1-3H3,(H,13,14,15)
InChIKeyXRGLVPKIYYMWNT-UHFFFAOYSA-N
XLogP1.97
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 83093937
N-methyl-2-(1-methylimidazol-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190102
2-(2-ethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83200586
2-(2,4-dichlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83201654
N-methyl-2-(6-methyl-2-pyridinyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190550
2-(3-ethyl-4-pyridinyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190776
2-(2-bromo-4-fluorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 107281484
N-methyl-2-(1,3-thiazol-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191389
2-(5-ethylfuran-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83201340
2-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 112670983
2-(3-chlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190443
2-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 102844127

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83201574) is 2-(1,3-dimethylpyrazol-4-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CNc1nc(-c2cn(C)nc2C)nc2c1CSC2.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is XRGLVPKIYYMWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-7-8(4-17(3)16-7)12-14-10-6-18-5-9(10)11(13-2)15-12/h4H,5-6H2,1-3H3,(H,13,14,15).
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(1,3-dimethylpyrazol-4-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 261.35 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazol-4-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83201574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).