2-N-ethyl-6-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine

C14H18N6S — CID 103327733

IUPAC2-N-ethyl-6-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NCc2ccnn2C)c2cc(C)sc2n1
InChIInChI=1S/C14H18N6S/c1-4-15-14-18-12(11-7-9(2)21-13(11)19-14)16-8-10-5-6-17-20(10)3/h5-7H,4,8H2,1-3H3,(H2,15,16,18,19)
InChIKeyVPQQUSINNGHNBJ-UHFFFAOYSA-N
MW302.41 g/mol
LogP2.78
Rot. Bonds5

About 2-N-ethyl-6-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine

2-N-ethyl-6-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103327733) has the molecular formula C14H18N6S and a molecular weight of 302.41 g/mol. Its IUPAC name is 2-N-ethyl-6-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103327733
Molecular FormulaC14H18N6S
Molecular Weight302.41 g/mol
Exact Mass302.13
IUPAC Name2-N-ethyl-6-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NCc2ccnn2C)c2cc(C)sc2n1
InChIInChI=1S/C14H18N6S/c1-4-15-14-18-12(11-7-9(2)21-13(11)19-14)16-8-10-5-6-17-20(10)3/h5-7H,4,8H2,1-3H3,(H2,15,16,18,19)
InChIKeyVPQQUSINNGHNBJ-UHFFFAOYSA-N
XLogP2.78
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133409041
2-N-ethyl-6-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 106378642
2-N-ethyl-6-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326759
2-N-ethyl-6-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327668
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
2-N-ethyl-6-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327339
4-N-(cyclopropylmethyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324169
2-N-ethyl-4-N-(3-ethylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328434
2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine
CID 114785175
2-N-ethyl-6-methyl-4-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329962
4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329938

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine (CID 103327733) is 2-N-ethyl-6-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(NCc2ccnn2C)c2cc(C)sc2n1.
What is the InChIKey of 2-N-ethyl-6-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is VPQQUSINNGHNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6S/c1-4-15-14-18-12(11-7-9(2)21-13(11)19-14)16-8-10-5-6-17-20(10)3/h5-7H,4,8H2,1-3H3,(H2,15,16,18,19).
What are the key properties of 2-N-ethyl-6-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-ethyl-6-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 302.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103327733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).