(5R)-4-N-cyclobutyl-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine

C18H28N4O2S — CID 164607259

IUPAC(5R)-4-N-cyclobutyl-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine
SMILESCN(CCC1CCOCC1)c1nc2c(c(NC3CCC3)n1)[S@](=O)CC2
InChIInChI=1S/C18H28N4O2S/c1-22(9-5-13-6-10-24-11-7-13)18-20-15-8-12-25(23)16(15)17(21-18)19-14-3-2-4-14/h13-14H,2-12H2,1H3,(H,19,20,21)/t25-/m1/s1
InChIKeyMZYJJUATPJFWQQ-RUZDIDTESA-N
MW364.52 g/mol
LogP2.36
Rot. Bonds6

About (5R)-4-N-cyclobutyl-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine

(5R)-4-N-cyclobutyl-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 164607259) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is (5R)-4-N-cyclobutyl-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name(5R)-4-N-cyclobutyl-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID164607259
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC Name(5R)-4-N-cyclobutyl-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine
SMILESCN(CCC1CCOCC1)c1nc2c(c(NC3CCC3)n1)[S@](=O)CC2
InChIInChI=1S/C18H28N4O2S/c1-22(9-5-13-6-10-24-11-7-13)18-20-15-8-12-25(23)16(15)17(21-18)19-14-3-2-4-14/h13-14H,2-12H2,1H3,(H,19,20,21)/t25-/m1/s1
InChIKeyMZYJJUATPJFWQQ-RUZDIDTESA-N
XLogP2.36
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5R)-4-N-cyclobutyl-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-4-N-cyclobutyl-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of (5R)-4-N-cyclobutyl-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine (CID 164607259) is (5R)-4-N-cyclobutyl-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for (5R)-4-N-cyclobutyl-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for (5R)-4-N-cyclobutyl-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine is CN(CCC1CCOCC1)c1nc2c(c(NC3CCC3)n1)[S@](=O)CC2.
What is the InChIKey of (5R)-4-N-cyclobutyl-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is MZYJJUATPJFWQQ-RUZDIDTESA-N. The full InChI is InChI=1S/C18H28N4O2S/c1-22(9-5-13-6-10-24-11-7-13)18-20-15-8-12-25(23)16(15)17(21-18)19-14-3-2-4-14/h13-14H,2-12H2,1H3,(H,19,20,21)/t25-/m1/s1.
What are the key properties of (5R)-4-N-cyclobutyl-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine?
(5R)-4-N-cyclobutyl-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 364.52 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-N-cyclobutyl-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 164607259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).