2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-4-methylpyrimidine-5-carboxylic acid

C24H25N7O4S — CID 66977938

IUPAC2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-4-methylpyrimidine-5-carboxylic acid
SMILESCOc1ccc(-c2nc(N3CCOCC3)c3sc(CN(C)c4ncc(C(=O)O)c(C)n4)cc3n2)cn1
InChIInChI=1S/C24H25N7O4S/c1-14-17(23(32)33)12-26-24(27-14)30(2)13-16-10-18-20(36-16)22(31-6-8-35-9-7-31)29-21(28-18)15-4-5-19(34-3)25-11-15/h4-5,10-12H,6-9,13H2,1-3H3,(H,32,33)
InChIKeyUPHHBBOONRBKRS-UHFFFAOYSA-N
MW507.58 g/mol
LogP3.03
Rot. Bonds7

About 2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-4-methylpyrimidine-5-carboxylic acid

2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-4-methylpyrimidine-5-carboxylic acid (PubChem CID 66977938) has the molecular formula C24H25N7O4S and a molecular weight of 507.58 g/mol. Its IUPAC name is 2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-4-methylpyrimidine-5-carboxylic acid
PubChem CID66977938
Molecular FormulaC24H25N7O4S
Molecular Weight507.58 g/mol
Exact Mass507.17
IUPAC Name2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-4-methylpyrimidine-5-carboxylic acid
SMILESCOc1ccc(-c2nc(N3CCOCC3)c3sc(CN(C)c4ncc(C(=O)O)c(C)n4)cc3n2)cn1
InChIInChI=1S/C24H25N7O4S/c1-14-17(23(32)33)12-26-24(27-14)30(2)13-16-10-18-20(36-16)22(31-6-8-35-9-7-31)29-21(28-18)15-4-5-19(34-3)25-11-15/h4-5,10-12H,6-9,13H2,1-3H3,(H,32,33)
InChIKeyUPHHBBOONRBKRS-UHFFFAOYSA-N
XLogP3.03
TPSA126.69 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.58
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-4-methylpyrimidine-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-4-methylpyrimidine-5-carboxylic acid (CID 66977938) is 2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-4-methylpyrimidine-5-carboxylic acid is COc1ccc(-c2nc(N3CCOCC3)c3sc(CN(C)c4ncc(C(=O)O)c(C)n4)cc3n2)cn1.
What is the InChIKey of 2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is UPHHBBOONRBKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O4S/c1-14-17(23(32)33)12-26-24(27-14)30(2)13-16-10-18-20(36-16)22(31-6-8-35-9-7-31)29-21(28-18)15-4-5-19(34-3)25-11-15/h4-5,10-12H,6-9,13H2,1-3H3,(H,32,33).
What are the key properties of 2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-4-methylpyrimidine-5-carboxylic acid?
2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 507.58 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 66977938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).