1-[4-(5-tert-butyl-4-morpholin-4-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)phenyl]-3-ethylurea

C24H32N6O2 — CID 91277958

IUPAC1-[4-(5-tert-butyl-4-morpholin-4-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)phenyl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)C(C(C)(C)C)=NCC3)cc1
InChIInChI=1S/C24H32N6O2/c1-5-25-23(31)27-17-8-6-16(7-9-17)21-28-18-10-11-26-20(24(2,3)4)19(18)22(29-21)30-12-14-32-15-13-30/h6-9H,5,10-15H2,1-4H3,(H2,25,27,31)
InChIKeyMQBLYKXOQRVIDI-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.51
Rot. Bonds4

About 1-[4-(5-tert-butyl-4-morpholin-4-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)phenyl]-3-ethylurea

1-[4-(5-tert-butyl-4-morpholin-4-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)phenyl]-3-ethylurea (PubChem CID 91277958) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 1-[4-(5-tert-butyl-4-morpholin-4-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)phenyl]-3-ethylurea.

Molecular Properties

Compound Name1-[4-(5-tert-butyl-4-morpholin-4-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)phenyl]-3-ethylurea
PubChem CID91277958
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name1-[4-(5-tert-butyl-4-morpholin-4-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)phenyl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)C(C(C)(C)C)=NCC3)cc1
InChIInChI=1S/C24H32N6O2/c1-5-25-23(31)27-17-8-6-16(7-9-17)21-28-18-10-11-26-20(24(2,3)4)19(18)22(29-21)30-12-14-32-15-13-30/h6-9H,5,10-15H2,1-4H3,(H2,25,27,31)
InChIKeyMQBLYKXOQRVIDI-UHFFFAOYSA-N
XLogP3.51
TPSA91.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-(5-tert-butyl-4-morpholin-4-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)phenyl]-3-ethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl]urea
CID 91294724
1-ethyl-3-[4-[4-morpholin-4-yl-7-(oxan-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 143935936
N-ethyl-2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 46913264
1-[4-(6-acetyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)phenyl]-3-ethylurea
CID 143936129
1-ethyl-3-[4-[4-morpholin-4-yl-7-(oxetan-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 59239355
1-ethyl-3-[4-(7-methylsulfanyl-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]urea
CID 143936009
methyl 2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 59239136
1-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-ethylurea
CID 44514481
1-[4-(7-cyclopropylsulfanyl-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]-3-ethylurea
CID 143936074
1-[4-(7-benzyl-4-morpholin-4-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-yl)phenyl]-3-ethylurea
CID 44814559
1-ethyl-3-[4-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]urea
CID 68865414
ethane;1-ethyl-3-[4-(7-ethyl-4-morpholin-4-yl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea
CID 143935928

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-tert-butyl-4-morpholin-4-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)phenyl]-3-ethylurea?
The IUPAC name of 1-[4-(5-tert-butyl-4-morpholin-4-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)phenyl]-3-ethylurea (CID 91277958) is 1-[4-(5-tert-butyl-4-morpholin-4-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)phenyl]-3-ethylurea.
What is the SMILES notation for 1-[4-(5-tert-butyl-4-morpholin-4-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)phenyl]-3-ethylurea?
The canonical SMILES for 1-[4-(5-tert-butyl-4-morpholin-4-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)phenyl]-3-ethylurea is CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)C(C(C)(C)C)=NCC3)cc1.
What is the InChIKey of 1-[4-(5-tert-butyl-4-morpholin-4-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)phenyl]-3-ethylurea?
The InChIKey is MQBLYKXOQRVIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-5-25-23(31)27-17-8-6-16(7-9-17)21-28-18-10-11-26-20(24(2,3)4)19(18)22(29-21)30-12-14-32-15-13-30/h6-9H,5,10-15H2,1-4H3,(H2,25,27,31).
What are the key properties of 1-[4-(5-tert-butyl-4-morpholin-4-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)phenyl]-3-ethylurea?
1-[4-(5-tert-butyl-4-morpholin-4-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)phenyl]-3-ethylurea has a molecular weight of 436.56 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-tert-butyl-4-morpholin-4-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)phenyl]-3-ethylurea is sourced from PubChem (CID 91277958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).