5,6-dimethyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine

C16H25N4OS+ — CID 2571308

IUPAC5,6-dimethyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCC(C)(C)[NH+]3CCOCC3)c2c1C
InChIInChI=1S/C16H24N4OS/c1-11-12(2)22-15-13(11)14(18-10-19-15)17-9-16(3,4)20-5-7-21-8-6-20/h10H,5-9H2,1-4H3,(H,17,18,19)/p+1
InChIKeyKQXYFFACRYKBSU-UHFFFAOYSA-O
MW321.47 g/mol
LogP1.41
Rot. Bonds4

About 5,6-dimethyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2571308) has the molecular formula C16H25N4OS+ and a molecular weight of 321.47 g/mol. Its IUPAC name is 5,6-dimethyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID2571308
Molecular FormulaC16H25N4OS+
Molecular Weight321.47 g/mol
Exact Mass321.17
IUPAC Name5,6-dimethyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCC(C)(C)[NH+]3CCOCC3)c2c1C
InChIInChI=1S/C16H24N4OS/c1-11-12(2)22-15-13(11)14(18-10-19-15)17-9-16(3,4)20-5-7-21-8-6-20/h10H,5-9H2,1-4H3,(H,17,18,19)/p+1
InChIKeyKQXYFFACRYKBSU-UHFFFAOYSA-O
XLogP1.41
TPSA51.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 79561295
N-(cyclopropylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 43112058
5,6-dimethyl-N-(3-methylpentan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 114174333
N-but-2-ynyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 115865541
5,6-dimethyl-N-[(5-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 60964837
(2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 7999819
1-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4,4-dimethylpentane-1,2-diamine
CID 107159127
(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 719979
N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine
CID 113282648
5,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 107265827
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 724915
N-(3-chloro-2-methylpropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 65037549

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine (CID 2571308) is 5,6-dimethyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(NCC(C)(C)[NH+]3CCOCC3)c2c1C.
What is the InChIKey of 5,6-dimethyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KQXYFFACRYKBSU-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H24N4OS/c1-11-12(2)22-15-13(11)14(18-10-19-15)17-9-16(3,4)20-5-7-21-8-6-20/h10H,5-9H2,1-4H3,(H,17,18,19)/p+1.
What are the key properties of 5,6-dimethyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 321.47 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2571308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).