N-[4-[[ethoxy(morpholin-4-yl)phosphoryl]methyl]phenyl]-7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-amine

C26H29N4O4PS — CID 162671108

IUPACN-[4-[[ethoxy(morpholin-4-yl)phosphoryl]methyl]phenyl]-7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-amine
SMILESCCOP(=O)(Cc1ccc(Nc2ncc3scc(-c4ccccc4OC)c3n2)cc1)N1CCOCC1
InChIInChI=1S/C26H29N4O4PS/c1-3-34-35(31,30-12-14-33-15-13-30)17-19-8-10-20(11-9-19)28-26-27-16-24-25(29-26)22(18-36-24)21-6-4-5-7-23(21)32-2/h4-11,16,18H,3,12-15,17H2,1-2H3,(H,27,28,29)
InChIKeyUGYFXTRYBRHBRT-UHFFFAOYSA-N
MW524.58 g/mol
LogP6.17
Rot. Bonds9

About N-[4-[[ethoxy(morpholin-4-yl)phosphoryl]methyl]phenyl]-7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-amine

N-[4-[[ethoxy(morpholin-4-yl)phosphoryl]methyl]phenyl]-7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-amine (PubChem CID 162671108) has the molecular formula C26H29N4O4PS and a molecular weight of 524.58 g/mol. Its IUPAC name is N-[4-[[ethoxy(morpholin-4-yl)phosphoryl]methyl]phenyl]-7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[[ethoxy(morpholin-4-yl)phosphoryl]methyl]phenyl]-7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-amine
PubChem CID162671108
Molecular FormulaC26H29N4O4PS
Molecular Weight524.58 g/mol
Exact Mass524.16
IUPAC NameN-[4-[[ethoxy(morpholin-4-yl)phosphoryl]methyl]phenyl]-7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-amine
SMILESCCOP(=O)(Cc1ccc(Nc2ncc3scc(-c4ccccc4OC)c3n2)cc1)N1CCOCC1
InChIInChI=1S/C26H29N4O4PS/c1-3-34-35(31,30-12-14-33-15-13-30)17-19-8-10-20(11-9-19)28-26-27-16-24-25(29-26)22(18-36-24)21-6-4-5-7-23(21)32-2/h4-11,16,18H,3,12-15,17H2,1-2H3,(H,27,28,29)
InChIKeyUGYFXTRYBRHBRT-UHFFFAOYSA-N
XLogP6.17
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.58
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[ethoxy(morpholin-4-yl)phosphoryl]methyl]phenyl]-7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of N-[4-[[ethoxy(morpholin-4-yl)phosphoryl]methyl]phenyl]-7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-amine (CID 162671108) is N-[4-[[ethoxy(morpholin-4-yl)phosphoryl]methyl]phenyl]-7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for N-[4-[[ethoxy(morpholin-4-yl)phosphoryl]methyl]phenyl]-7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for N-[4-[[ethoxy(morpholin-4-yl)phosphoryl]methyl]phenyl]-7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-amine is CCOP(=O)(Cc1ccc(Nc2ncc3scc(-c4ccccc4OC)c3n2)cc1)N1CCOCC1.
What is the InChIKey of N-[4-[[ethoxy(morpholin-4-yl)phosphoryl]methyl]phenyl]-7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is UGYFXTRYBRHBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N4O4PS/c1-3-34-35(31,30-12-14-33-15-13-30)17-19-8-10-20(11-9-19)28-26-27-16-24-25(29-26)22(18-36-24)21-6-4-5-7-23(21)32-2/h4-11,16,18H,3,12-15,17H2,1-2H3,(H,27,28,29).
What are the key properties of N-[4-[[ethoxy(morpholin-4-yl)phosphoryl]methyl]phenyl]-7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-amine?
N-[4-[[ethoxy(morpholin-4-yl)phosphoryl]methyl]phenyl]-7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 524.58 g/mol, XLogP of 6.17, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[ethoxy(morpholin-4-yl)phosphoryl]methyl]phenyl]-7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 162671108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).