4-N-(1-methoxypropan-2-yl)-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine

C12H18N4OS — CID 103325817

IUPAC4-N-(1-methoxypropan-2-yl)-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N(C)C(C)COC)c2ccsc2n1
InChIInChI=1S/C12H18N4OS/c1-8(7-17-4)16(3)10-9-5-6-18-11(9)15-12(13-2)14-10/h5-6,8H,7H2,1-4H3,(H,13,14,15)
InChIKeyBIENIOCWELZLOJ-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.20
Rot. Bonds5

About 4-N-(1-methoxypropan-2-yl)-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-(1-methoxypropan-2-yl)-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103325817) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-N-(1-methoxypropan-2-yl)-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-methoxypropan-2-yl)-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103325817
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name4-N-(1-methoxypropan-2-yl)-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N(C)C(C)COC)c2ccsc2n1
InChIInChI=1S/C12H18N4OS/c1-8(7-17-4)16(3)10-9-5-6-18-11(9)15-12(13-2)14-10/h5-6,8H,7H2,1-4H3,(H,13,14,15)
InChIKeyBIENIOCWELZLOJ-UHFFFAOYSA-N
XLogP2.20
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-(1-methoxypropan-2-yl)-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-ethyl-4-N-methyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325135
4-N-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324590
4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326563
1-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 103326416
4-N-(4-methoxybutan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328328
2-N,4-N-dimethyl-4-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328589
2-N-ethyl-4-N-(1-methoxypropan-2-yl)-4-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325816
2-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 103335528
4-N-[(4-bromophenyl)methyl]-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325565
4-N-[1-(dimethylamino)propan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329471
4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326506
2-N-ethyl-4-N,4-N-bis(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325505

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methoxypropan-2-yl)-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1-methoxypropan-2-yl)-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103325817) is 4-N-(1-methoxypropan-2-yl)-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1-methoxypropan-2-yl)-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1-methoxypropan-2-yl)-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine is CNc1nc(N(C)C(C)COC)c2ccsc2n1.
What is the InChIKey of 4-N-(1-methoxypropan-2-yl)-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is BIENIOCWELZLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-8(7-17-4)16(3)10-9-5-6-18-11(9)15-12(13-2)14-10/h5-6,8H,7H2,1-4H3,(H,13,14,15).
What are the key properties of 4-N-(1-methoxypropan-2-yl)-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(1-methoxypropan-2-yl)-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 266.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methoxypropan-2-yl)-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103325817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).