4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine

C15H25N5S — CID 103326180

IUPAC4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NC(CC(C)C)CN(C)C)c2ccsc2n1
InChIInChI=1S/C15H25N5S/c1-10(2)8-11(9-20(4)5)17-13-12-6-7-21-14(12)19-15(16-3)18-13/h6-7,10-11H,8-9H2,1-5H3,(H2,16,17,18,19)
InChIKeyWKNRFOIHIRPQOD-UHFFFAOYSA-N
MW307.47 g/mol
LogP3.12
Rot. Bonds7

About 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103326180) has the molecular formula C15H25N5S and a molecular weight of 307.47 g/mol. Its IUPAC name is 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103326180
Molecular FormulaC15H25N5S
Molecular Weight307.47 g/mol
Exact Mass307.18
IUPAC Name4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NC(CC(C)C)CN(C)C)c2ccsc2n1
InChIInChI=1S/C15H25N5S/c1-10(2)8-11(9-20(4)5)17-13-12-6-7-21-14(12)19-15(16-3)18-13/h6-7,10-11H,8-9H2,1-5H3,(H2,16,17,18,19)
InChIKeyWKNRFOIHIRPQOD-UHFFFAOYSA-N
XLogP3.12
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[1-(dimethylamino)propan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329471
2-N-methyl-4-N-(4-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324758
4-N-[1-(diethylamino)propan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326985
4-N-(1-cyclopropylbutan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328065
2-N-methyl-4-N-(2-methylpentan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325944
2-N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 103322289
2-N-methyl-4-N-(1-phenylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324196
4-N-(4-methoxybutan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328328
4-methyl-3-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 106358078
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 103329081
N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide
CID 103329780
2-N-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326031

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103326180) is 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine is CNc1nc(NC(CC(C)C)CN(C)C)c2ccsc2n1.
What is the InChIKey of 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is WKNRFOIHIRPQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5S/c1-10(2)8-11(9-20(4)5)17-13-12-6-7-21-14(12)19-15(16-3)18-13/h6-7,10-11H,8-9H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 307.47 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103326180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).