2-[2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-6-methylpyrimidine-4-carboxylic acid

C26H30N8O4 — CID 59239069

IUPAC2-[2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-6-methylpyrimidine-4-carboxylic acid
SMILESCCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(c2nc(C)cc(C(=O)O)n2)C3)cc1
InChIInChI=1S/C26H30N8O4/c1-3-27-26(37)29-18-6-4-17(5-7-18)22-30-21-15-34(25-28-16(2)14-20(31-25)24(35)36)9-8-19(21)23(32-22)33-10-12-38-13-11-33/h4-7,14H,3,8-13,15H2,1-2H3,(H,35,36)(H2,27,29,37)
InChIKeyLSIVPZTUKHIJTR-UHFFFAOYSA-N
MW518.58 g/mol
LogP2.48
Rot. Bonds6

About 2-[2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-6-methylpyrimidine-4-carboxylic acid

2-[2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-6-methylpyrimidine-4-carboxylic acid (PubChem CID 59239069) has the molecular formula C26H30N8O4 and a molecular weight of 518.58 g/mol. Its IUPAC name is 2-[2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-6-methylpyrimidine-4-carboxylic acid
PubChem CID59239069
Molecular FormulaC26H30N8O4
Molecular Weight518.58 g/mol
Exact Mass518.24
IUPAC Name2-[2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-6-methylpyrimidine-4-carboxylic acid
SMILESCCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(c2nc(C)cc(C(=O)O)n2)C3)cc1
InChIInChI=1S/C26H30N8O4/c1-3-27-26(37)29-18-6-4-17(5-7-18)22-30-21-15-34(25-28-16(2)14-20(31-25)24(35)36)9-8-19(21)23(32-22)33-10-12-38-13-11-33/h4-7,14H,3,8-13,15H2,1-2H3,(H,35,36)(H2,27,29,37)
InChIKeyLSIVPZTUKHIJTR-UHFFFAOYSA-N
XLogP2.48
TPSA145.70 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.58
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-6-methylpyrimidine-4-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-[2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-6-methylpyrimidine-4-carboxylic acid (CID 59239069) is 2-[2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-6-methylpyrimidine-4-carboxylic acid is CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(c2nc(C)cc(C(=O)O)n2)C3)cc1.
What is the InChIKey of 2-[2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-6-methylpyrimidine-4-carboxylic acid?
The InChIKey is LSIVPZTUKHIJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O4/c1-3-27-26(37)29-18-6-4-17(5-7-18)22-30-21-15-34(25-28-16(2)14-20(31-25)24(35)36)9-8-19(21)23(32-22)33-10-12-38-13-11-33/h4-7,14H,3,8-13,15H2,1-2H3,(H,35,36)(H2,27,29,37).
What are the key properties of 2-[2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-6-methylpyrimidine-4-carboxylic acid?
2-[2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-6-methylpyrimidine-4-carboxylic acid has a molecular weight of 518.58 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 59239069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).