N'-(3-methylphenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide

C22H30N6O4 — CID 58808808

IUPACN'-(3-methylphenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide
SMILESCc1cccc(NNC(=O)c2cc(OCCN3CCOCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C22H30N6O4/c1-17-3-2-4-18(15-17)25-26-21(29)19-16-20(32-14-7-27-5-10-30-11-6-27)24-22(23-19)28-8-12-31-13-9-28/h2-4,15-16,25H,5-14H2,1H3,(H,26,29)
InChIKeyNVDUCJBCZYZPKQ-UHFFFAOYSA-N
MW442.52 g/mol
LogP1.09
Rot. Bonds8

About N'-(3-methylphenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide

N'-(3-methylphenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide (PubChem CID 58808808) has the molecular formula C22H30N6O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is N'-(3-methylphenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(3-methylphenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide
PubChem CID58808808
Molecular FormulaC22H30N6O4
Molecular Weight442.52 g/mol
Exact Mass442.23
IUPAC NameN'-(3-methylphenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide
SMILESCc1cccc(NNC(=O)c2cc(OCCN3CCOCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C22H30N6O4/c1-17-3-2-4-18(15-17)25-26-21(29)19-16-20(32-14-7-27-5-10-30-11-6-27)24-22(23-19)28-8-12-31-13-9-28/h2-4,15-16,25H,5-14H2,1H3,(H,26,29)
InChIKeyNVDUCJBCZYZPKQ-UHFFFAOYSA-N
XLogP1.09
TPSA101.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 11620156
1-(3-methylphenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
CID 11711913
N-(3-chlorophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 59258759
N-(2-acetamidophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 11634188
6-(dipropylamino)-N'-(3-methylphenyl)-2-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide
CID 71193788
N-[3-[methyl(propan-2-yl)amino]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 59258746
N-[3-[2-(methoxyamino)ethenyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 91415700
N-[3-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 87482089
1-(4-methylphenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
CID 11583059
2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-4-carboxamide
CID 59258524
N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(2-piperazin-1-ylethoxy)pyrimidine-4-carboxamide
CID 59258559
1-(3-cyanophenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
CID 59258635

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylphenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide?
The IUPAC name of N'-(3-methylphenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide (CID 58808808) is N'-(3-methylphenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide.
What is the SMILES notation for N'-(3-methylphenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide?
The canonical SMILES for N'-(3-methylphenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide is Cc1cccc(NNC(=O)c2cc(OCCN3CCOCC3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of N'-(3-methylphenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide?
The InChIKey is NVDUCJBCZYZPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O4/c1-17-3-2-4-18(15-17)25-26-21(29)19-16-20(32-14-7-27-5-10-30-11-6-27)24-22(23-19)28-8-12-31-13-9-28/h2-4,15-16,25H,5-14H2,1H3,(H,26,29).
What are the key properties of N'-(3-methylphenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide?
N'-(3-methylphenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide has a molecular weight of 442.52 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylphenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide is sourced from PubChem (CID 58808808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).