N-(2-cyclopropyloxan-4-yl)-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine

C23H28N4OS — CID 133473734

IUPACN-(2-cyclopropyloxan-4-yl)-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCN(C)Cc1nc(NC2CCOC(C3CC3)C2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C23H28N4OS/c1-27(2)13-20-25-22(24-17-10-11-28-19(12-17)16-8-9-16)21-18(14-29-23(21)26-20)15-6-4-3-5-7-15/h3-7,14,16-17,19H,8-13H2,1-2H3,(H,24,25,26)
InChIKeyOWJXZZGFRFBNEO-UHFFFAOYSA-N
MW408.57 g/mol
LogP4.79
Rot. Bonds6

About N-(2-cyclopropyloxan-4-yl)-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine

N-(2-cyclopropyloxan-4-yl)-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 133473734) has the molecular formula C23H28N4OS and a molecular weight of 408.57 g/mol. Its IUPAC name is N-(2-cyclopropyloxan-4-yl)-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-cyclopropyloxan-4-yl)-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID133473734
Molecular FormulaC23H28N4OS
Molecular Weight408.57 g/mol
Exact Mass408.20
IUPAC NameN-(2-cyclopropyloxan-4-yl)-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCN(C)Cc1nc(NC2CCOC(C3CC3)C2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C23H28N4OS/c1-27(2)13-20-25-22(24-17-10-11-28-19(12-17)16-8-9-16)21-18(14-29-23(21)26-20)15-6-4-3-5-7-15/h3-7,14,16-17,19H,8-13H2,1-2H3,(H,24,25,26)
InChIKeyOWJXZZGFRFBNEO-UHFFFAOYSA-N
XLogP4.79
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyloxan-4-yl)-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-cyclopropyloxan-4-yl)-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 133473734) is N-(2-cyclopropyloxan-4-yl)-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-cyclopropyloxan-4-yl)-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-cyclopropyloxan-4-yl)-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine is CN(C)Cc1nc(NC2CCOC(C3CC3)C2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of N-(2-cyclopropyloxan-4-yl)-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OWJXZZGFRFBNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4OS/c1-27(2)13-20-25-22(24-17-10-11-28-19(12-17)16-8-9-16)21-18(14-29-23(21)26-20)15-6-4-3-5-7-15/h3-7,14,16-17,19H,8-13H2,1-2H3,(H,24,25,26).
What are the key properties of N-(2-cyclopropyloxan-4-yl)-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
N-(2-cyclopropyloxan-4-yl)-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 408.57 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyloxan-4-yl)-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133473734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).