1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea

C20H26N6O2 — CID 46913071

IUPAC1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea
SMILESCCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCNC3)cc1
InChIInChI=1S/C20H26N6O2/c1-2-22-20(27)23-15-5-3-14(4-6-15)18-24-17-13-21-8-7-16(17)19(25-18)26-9-11-28-12-10-26/h3-6,21H,2,7-13H2,1H3,(H2,22,23,27)
InChIKeyPITUAFPHQAKRKP-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.77
Rot. Bonds4

About 1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea

1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea (PubChem CID 46913071) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea
PubChem CID46913071
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea
SMILESCCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCNC3)cc1
InChIInChI=1S/C20H26N6O2/c1-2-22-20(27)23-15-5-3-14(4-6-15)18-24-17-13-21-8-7-16(17)19(25-18)26-9-11-28-12-10-26/h3-6,21H,2,7-13H2,1H3,(H2,22,23,27)
InChIKeyPITUAFPHQAKRKP-UHFFFAOYSA-N
XLogP1.77
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Gdc-0349
CID 59239165
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
N-[4-[2-[(4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl]phenyl]ethanamide
CID 24877326
1-(4-(4,6-bis((R)-3-methylmorpholino)-1,3,5-triazin-2-yl)phenyl)-3-(pyridin-4-yl)urea
CID 46884583
(R)-1-(4-(4-(3-methylmorpholino)-6-(tetrahydro-2H-pyran-4-yl)-1,3,5-triazin-2-yl)phenyl)-3-(4-(piperazin-1-yl)phenyl)urea
CID 46884593
2-[[4-[5,6,7,8-Tetrahydro-4-[(3S)-3-methyl-4-morpholinyl]-7-(2-pyrimidinyl)pyrido[3,4-d]pyrimidin-2-yl]phenyl]amino]-4(3H)-pyrimidinone
CID 59239300
Diethyl-(2-morpholin-4-yl-quinazolin-4-yl)-amine
CID 6457762
4-Quinazolinamine, 2-(4-morpholinyl)-
CID 660065
2-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 1091839
Ethanol, 2-[4-(4-benzylaminoquinazolin-2-yl)piperazin-1-yl]-
CID 1158941
N-(2-(4-Morpholinyl)ethyl)-2-phenyl-4-quinazolinamine
CID 675240
Pyrido[4,3-d]pyrimidine deriv. 4r
CID 5328328

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea?
The IUPAC name of 1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea (CID 46913071) is 1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea.
What is the SMILES notation for 1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea?
The canonical SMILES for 1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea is CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCNC3)cc1.
What is the InChIKey of 1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea?
The InChIKey is PITUAFPHQAKRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-2-22-20(27)23-15-5-3-14(4-6-15)18-24-17-13-21-8-7-16(17)19(25-18)26-9-11-28-12-10-26/h3-6,21H,2,7-13H2,1H3,(H2,22,23,27).
What are the key properties of 1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea?
1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea has a molecular weight of 382.47 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea is sourced from PubChem (CID 46913071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).