4-N-hexan-3-yl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine

C16H26N4S — CID 103327093

IUPAC4-N-hexan-3-yl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(NC(CC)CCC)c2cc(C)sc2n1
InChIInChI=1S/C16H26N4S/c1-5-8-12(7-3)18-14-13-10-11(4)21-15(13)20-16(19-14)17-9-6-2/h10,12H,5-9H2,1-4H3,(H2,17,18,19,20)
InChIKeyCZLNDKOUQTXNRB-UHFFFAOYSA-N
MW306.48 g/mol
LogP4.81
Rot. Bonds8

About 4-N-hexan-3-yl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-hexan-3-yl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103327093) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is 4-N-hexan-3-yl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-hexan-3-yl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103327093
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Name4-N-hexan-3-yl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(NC(CC)CCC)c2cc(C)sc2n1
InChIInChI=1S/C16H26N4S/c1-5-8-12(7-3)18-14-13-10-11(4)21-15(13)20-16(19-14)17-9-6-2/h10,12H,5-9H2,1-4H3,(H2,17,18,19,20)
InChIKeyCZLNDKOUQTXNRB-UHFFFAOYSA-N
XLogP4.81
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323240
2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324859
2-N,6-dimethyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324125
4-N-(1-methoxypropan-2-yl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324235
2-N,6-dimethyl-4-N-octan-4-ylthieno[2,3-d]pyrimidine-2,4-diamine
CID 106028883
6-methyl-4-N-(1-methylsulfinylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330173
3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide
CID 103330356
2-hydrazinyl-N-(1-methoxypentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103333906
2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324046
3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324486
6-methyl-4-N-(2-methylsulfanylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328024
2-methyl-2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324837

Frequently Asked Questions

What is the IUPAC name of 4-N-hexan-3-yl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-hexan-3-yl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103327093) is 4-N-hexan-3-yl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-hexan-3-yl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-hexan-3-yl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is CCCNc1nc(NC(CC)CCC)c2cc(C)sc2n1.
What is the InChIKey of 4-N-hexan-3-yl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is CZLNDKOUQTXNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-5-8-12(7-3)18-14-13-10-11(4)21-15(13)20-16(19-14)17-9-6-2/h10,12H,5-9H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-N-hexan-3-yl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-hexan-3-yl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 306.48 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-hexan-3-yl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103327093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).