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

C19H30N4O3S — CID 138688150

IUPAC(5R)-2-N-methyl-4-N-(oxan-4-yl)-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine
SMILESCN(CCC1CCOCC1)c1nc2c(c(NC3CCOCC3)n1)[S@](=O)CC2
InChIInChI=1S/C19H30N4O3S/c1-23(8-2-14-3-9-25-10-4-14)19-21-16-7-13-27(24)17(16)18(22-19)20-15-5-11-26-12-6-15/h14-15H,2-13H2,1H3,(H,20,21,22)/t27-/m1/s1
InChIKeyLFFRNQOQQGZBKA-HHHXNRCGSA-N
MW394.54 g/mol
LogP1.98
Rot. Bonds6

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

(5R)-2-N-methyl-4-N-(oxan-4-yl)-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 138688150) has the molecular formula C19H30N4O3S and a molecular weight of 394.54 g/mol. Its IUPAC name is (5R)-2-N-methyl-4-N-(oxan-4-yl)-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name(5R)-2-N-methyl-4-N-(oxan-4-yl)-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID138688150
Molecular FormulaC19H30N4O3S
Molecular Weight394.54 g/mol
Exact Mass394.20
IUPAC Name(5R)-2-N-methyl-4-N-(oxan-4-yl)-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine
SMILESCN(CCC1CCOCC1)c1nc2c(c(NC3CCOCC3)n1)[S@](=O)CC2
InChIInChI=1S/C19H30N4O3S/c1-23(8-2-14-3-9-25-10-4-14)19-21-16-7-13-27(24)17(16)18(22-19)20-15-5-11-26-12-6-15/h14-15H,2-13H2,1H3,(H,20,21,22)/t27-/m1/s1
InChIKeyLFFRNQOQQGZBKA-HHHXNRCGSA-N
XLogP1.98
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5R)-2-N-methyl-4-N-(oxan-4-yl)-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)-2-N-methyl-4-N-(oxan-4-yl)-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of (5R)-2-N-methyl-4-N-(oxan-4-yl)-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine (CID 138688150) is (5R)-2-N-methyl-4-N-(oxan-4-yl)-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)-2-N-methyl-4-N-(oxan-4-yl)-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for (5R)-2-N-methyl-4-N-(oxan-4-yl)-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine is CN(CCC1CCOCC1)c1nc2c(c(NC3CCOCC3)n1)[S@](=O)CC2.
What is the InChIKey of (5R)-2-N-methyl-4-N-(oxan-4-yl)-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is LFFRNQOQQGZBKA-HHHXNRCGSA-N. The full InChI is InChI=1S/C19H30N4O3S/c1-23(8-2-14-3-9-25-10-4-14)19-21-16-7-13-27(24)17(16)18(22-19)20-15-5-11-26-12-6-15/h14-15H,2-13H2,1H3,(H,20,21,22)/t27-/m1/s1.
What are the key properties of (5R)-2-N-methyl-4-N-(oxan-4-yl)-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine?
(5R)-2-N-methyl-4-N-(oxan-4-yl)-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 394.54 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-N-methyl-4-N-(oxan-4-yl)-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 138688150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).