6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyrimidine-2,4-dione

C25H25N9O3 — CID 59239512

IUPAC6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(Nc2ccc(-c3nc4c(c(N5CCOCC5)n3)CCN(c3ncccn3)C4)cc2)[nH]c(=O)[nH]1
InChIInChI=1S/C25H25N9O3/c35-21-14-20(30-25(36)31-21)28-17-4-2-16(3-5-17)22-29-19-15-34(24-26-7-1-8-27-24)9-6-18(19)23(32-22)33-10-12-37-13-11-33/h1-5,7-8,14H,6,9-13,15H2,(H3,28,30,31,35,36)
InChIKeyNURPBWMIYGFDJF-UHFFFAOYSA-N
MW499.54 g/mol
LogP1.45
Rot. Bonds5

About 6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyrimidine-2,4-dione

6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyrimidine-2,4-dione (PubChem CID 59239512) has the molecular formula C25H25N9O3 and a molecular weight of 499.54 g/mol. Its IUPAC name is 6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyrimidine-2,4-dione
PubChem CID59239512
Molecular FormulaC25H25N9O3
Molecular Weight499.54 g/mol
Exact Mass499.21
IUPAC Name6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(Nc2ccc(-c3nc4c(c(N5CCOCC5)n3)CCN(c3ncccn3)C4)cc2)[nH]c(=O)[nH]1
InChIInChI=1S/C25H25N9O3/c35-21-14-20(30-25(36)31-21)28-17-4-2-16(3-5-17)22-29-19-15-34(24-26-7-1-8-27-24)9-6-18(19)23(32-22)33-10-12-37-13-11-33/h1-5,7-8,14H,6,9-13,15H2,(H3,28,30,31,35,36)
InChIKeyNURPBWMIYGFDJF-UHFFFAOYSA-N
XLogP1.45
TPSA145.02 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.54
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyrimidine-2,4-dione (CID 59239512) is 6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyrimidine-2,4-dione is O=c1cc(Nc2ccc(-c3nc4c(c(N5CCOCC5)n3)CCN(c3ncccn3)C4)cc2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyrimidine-2,4-dione?
The InChIKey is NURPBWMIYGFDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N9O3/c35-21-14-20(30-25(36)31-21)28-17-4-2-16(3-5-17)22-29-19-15-34(24-26-7-1-8-27-24)9-6-18(19)23(32-22)33-10-12-37-13-11-33/h1-5,7-8,14H,6,9-13,15H2,(H3,28,30,31,35,36).
What are the key properties of 6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyrimidine-2,4-dione?
6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyrimidine-2,4-dione has a molecular weight of 499.54 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 59239512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).