6-[5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-morpholin-4-yl-1H-pyrimidin-2-one

C18H21N5O2 — CID 163864176

IUPAC6-[5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-morpholin-4-yl-1H-pyrimidin-2-one
SMILESCc1cccc(C2=NN(c3cc(N4CCOCC4)nc(=O)[nH]3)CC2)c1
InChIInChI=1S/C18H21N5O2/c1-13-3-2-4-14(11-13)15-5-6-23(21-15)17-12-16(19-18(24)20-17)22-7-9-25-10-8-22/h2-4,11-12H,5-10H2,1H3,(H,19,20,24)
InChIKeyPFEFVKFGLWCDBV-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.53
Rot. Bonds3

About 6-[5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-morpholin-4-yl-1H-pyrimidin-2-one

6-[5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-morpholin-4-yl-1H-pyrimidin-2-one (PubChem CID 163864176) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-[5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-morpholin-4-yl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-morpholin-4-yl-1H-pyrimidin-2-one
PubChem CID163864176
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name6-[5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-morpholin-4-yl-1H-pyrimidin-2-one
SMILESCc1cccc(C2=NN(c3cc(N4CCOCC4)nc(=O)[nH]3)CC2)c1
InChIInChI=1S/C18H21N5O2/c1-13-3-2-4-14(11-13)15-5-6-23(21-15)17-12-16(19-18(24)20-17)22-7-9-25-10-8-22/h2-4,11-12H,5-10H2,1H3,(H,19,20,24)
InChIKeyPFEFVKFGLWCDBV-UHFFFAOYSA-N
XLogP1.53
TPSA73.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-morpholin-4-yl-4-piperidin-1-yl-1H-pyrimidin-2-one
CID 155531007
2,5-bis(3-methylphenyl)-3,4-dihydropyrazole
CID 20525291
4-[2-ethenyl-6-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 156832211
2-methyl-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 135592113
4-[3-(cyclopropylmethyl)-5-[6-(3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568838
4-[2-(3-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine
CID 42635323
4-(6-methyl-4-phenylquinolin-2-yl)morpholine
CID 39860405
4-[2-methoxy-6-[3-(3-methylphenyl)-5-(morpholin-4-ylmethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 156832189
2-methoxy-2-[4-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol
CID 166709521
methyl 4-(4-methyl-6-morpholin-4-yl-2-pyridinyl)benzoate;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;methyl 4-(4-methyl-2-pyridinyl)benzoate;4-methyl-2-phenylpyridine;4-(4-methyl-6-phenyl-2-pyridinyl)morpholine
CID 158873466
4-[2-(chloromethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine
CID 169032485
ethane;4-(6-fluoro-4-methyl-2-pyridinyl)morpholine
CID 155700248

Frequently Asked Questions

What is the IUPAC name of 6-[5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-morpholin-4-yl-1H-pyrimidin-2-one?
The IUPAC name of 6-[5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-morpholin-4-yl-1H-pyrimidin-2-one (CID 163864176) is 6-[5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-morpholin-4-yl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-morpholin-4-yl-1H-pyrimidin-2-one?
The canonical SMILES for 6-[5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-morpholin-4-yl-1H-pyrimidin-2-one is Cc1cccc(C2=NN(c3cc(N4CCOCC4)nc(=O)[nH]3)CC2)c1.
What is the InChIKey of 6-[5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-morpholin-4-yl-1H-pyrimidin-2-one?
The InChIKey is PFEFVKFGLWCDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-13-3-2-4-14(11-13)15-5-6-23(21-15)17-12-16(19-18(24)20-17)22-7-9-25-10-8-22/h2-4,11-12H,5-10H2,1H3,(H,19,20,24).
What are the key properties of 6-[5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-morpholin-4-yl-1H-pyrimidin-2-one?
6-[5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-morpholin-4-yl-1H-pyrimidin-2-one has a molecular weight of 339.40 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-morpholin-4-yl-1H-pyrimidin-2-one is sourced from PubChem (CID 163864176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).