3-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methoxybutane-1,3-diamine

C13H20N4OS — CID 106154660

IUPAC3-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methoxybutane-1,3-diamine
SMILESCOCC(CCN)Nc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C13H20N4OS/c1-8-9(2)19-13-11(8)12(15-7-16-13)17-10(4-5-14)6-18-3/h7,10H,4-6,14H2,1-3H3,(H,15,16,17)
InChIKeyDUSKTXPYRJDLER-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.08
Rot. Bonds6

About 3-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methoxybutane-1,3-diamine

3-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methoxybutane-1,3-diamine (PubChem CID 106154660) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 3-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methoxybutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methoxybutane-1,3-diamine
PubChem CID106154660
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name3-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methoxybutane-1,3-diamine
SMILESCOCC(CCN)Nc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C13H20N4OS/c1-8-9(2)19-13-11(8)12(15-7-16-13)17-10(4-5-14)6-18-3/h7,10H,4-6,14H2,1-3H3,(H,15,16,17)
InChIKeyDUSKTXPYRJDLER-UHFFFAOYSA-N
XLogP2.08
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-chloro-3-methoxypropan-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 106181337
3-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)butane-1,3-diamine
CID 83180101
4-methoxy-3-N-(6-methoxy-5-methylpyrimidin-4-yl)butane-1,3-diamine
CID 114150985
4-methoxy-3-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)butane-1,3-diamine
CID 106154672
1-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methoxybutane-1,3-diamine
CID 106244472
(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 719979
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 103746126
4-[[(2R)-1-methoxybutan-2-yl]amino]-5-methyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26351700
N-[1-(4-chlorophenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 60631569
(2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 1076131
5,6-dimethyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 731283
(2S,3S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanoate
CID 6939424

Frequently Asked Questions

What is the IUPAC name of 3-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methoxybutane-1,3-diamine?
The IUPAC name of 3-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methoxybutane-1,3-diamine (CID 106154660) is 3-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methoxybutane-1,3-diamine.
What is the SMILES notation for 3-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methoxybutane-1,3-diamine?
The canonical SMILES for 3-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methoxybutane-1,3-diamine is COCC(CCN)Nc1ncnc2sc(C)c(C)c12.
What is the InChIKey of 3-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methoxybutane-1,3-diamine?
The InChIKey is DUSKTXPYRJDLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-8-9(2)19-13-11(8)12(15-7-16-13)17-10(4-5-14)6-18-3/h7,10H,4-6,14H2,1-3H3,(H,15,16,17).
What are the key properties of 3-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methoxybutane-1,3-diamine?
3-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methoxybutane-1,3-diamine has a molecular weight of 280.40 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methoxybutane-1,3-diamine is sourced from PubChem (CID 106154660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).