4-amino-6-morpholin-4-yl-N-[4-(phenylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide

C24H23N7O3S — CID 69160437

IUPAC4-amino-6-morpholin-4-yl-N-[4-(phenylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide
SMILESNc1ncnc2sc(N3CCOCC3)c(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)c12
InChIInChI=1S/C24H23N7O3S/c25-20-18-19(23(31-10-12-34-13-11-31)35-22(18)27-14-26-20)21(32)28-16-6-8-17(9-7-16)30-24(33)29-15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,28,32)(H2,25,26,27)(H2,29,30,33)
InChIKeyNYNVINKZAVGKKS-UHFFFAOYSA-N
MW489.56 g/mol
LogP4.01
Rot. Bonds5

About 4-amino-6-morpholin-4-yl-N-[4-(phenylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide

4-amino-6-morpholin-4-yl-N-[4-(phenylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 69160437) has the molecular formula C24H23N7O3S and a molecular weight of 489.56 g/mol. Its IUPAC name is 4-amino-6-morpholin-4-yl-N-[4-(phenylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-6-morpholin-4-yl-N-[4-(phenylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID69160437
Molecular FormulaC24H23N7O3S
Molecular Weight489.56 g/mol
Exact Mass489.16
IUPAC Name4-amino-6-morpholin-4-yl-N-[4-(phenylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide
SMILESNc1ncnc2sc(N3CCOCC3)c(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)c12
InChIInChI=1S/C24H23N7O3S/c25-20-18-19(23(31-10-12-34-13-11-31)35-22(18)27-14-26-20)21(32)28-16-6-8-17(9-7-16)30-24(33)29-15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,28,32)(H2,25,26,27)(H2,29,30,33)
InChIKeyNYNVINKZAVGKKS-UHFFFAOYSA-N
XLogP4.01
TPSA134.50 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 54.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-amino-6-morpholin-4-yl-N-[4-(phenylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(4-morpholin-4-ylphenyl)urea
CID 69058929
4-amino-N-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-6-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidine-5-carboxamide
CID 69455826
4-amino-6-(1-methylpyrazol-4-yl)-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidine-5-carboxamide
CID 69178753
1-[4-(11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-ylamino)phenyl]-3-phenylurea
CID 155550032
2-amino-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 82545859
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-phenylbenzamide
CID 69058453
5-amino-4-(3-chloro-4-fluoroanilino)-N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 24738188
N-(4-chlorophenyl)-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847461
2-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 119946355
N-(4-morpholin-4-ylphenyl)-5-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 155288065
6-morpholin-4-yl-N-phenylpyridazine-3-carboxamide
CID 109114518

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-morpholin-4-yl-N-[4-(phenylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-6-morpholin-4-yl-N-[4-(phenylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide (CID 69160437) is 4-amino-6-morpholin-4-yl-N-[4-(phenylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-6-morpholin-4-yl-N-[4-(phenylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-6-morpholin-4-yl-N-[4-(phenylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide is Nc1ncnc2sc(N3CCOCC3)c(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)c12.
What is the InChIKey of 4-amino-6-morpholin-4-yl-N-[4-(phenylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is NYNVINKZAVGKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O3S/c25-20-18-19(23(31-10-12-34-13-11-31)35-22(18)27-14-26-20)21(32)28-16-6-8-17(9-7-16)30-24(33)29-15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,28,32)(H2,25,26,27)(H2,29,30,33).
What are the key properties of 4-amino-6-morpholin-4-yl-N-[4-(phenylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide?
4-amino-6-morpholin-4-yl-N-[4-(phenylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 489.56 g/mol, XLogP of 4.01, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-morpholin-4-yl-N-[4-(phenylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 69160437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).