4-[6-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-2-[4-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine

C26H33N5O — CID 166164372

IUPAC4-[6-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-2-[4-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
SMILESCCC(C)/C(C)=C\c1nc(-n2cc(-c3cccc(C)c3)cn2)nc(N2CCOCC2)c1C
InChIInChI=1S/C26H33N5O/c1-6-19(3)20(4)15-24-21(5)25(30-10-12-32-13-11-30)29-26(28-24)31-17-23(16-27-31)22-9-7-8-18(2)14-22/h7-9,14-17,19H,6,10-13H2,1-5H3/b20-15-
InChIKeyWVULVAWKZMUSRY-HKWRFOASSA-N
MW431.58 g/mol
LogP5.23
Rot. Bonds6

About 4-[6-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-2-[4-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine

4-[6-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-2-[4-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 166164372) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is 4-[6-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-2-[4-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-2-[4-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
PubChem CID166164372
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC Name4-[6-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-2-[4-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
SMILESCCC(C)/C(C)=C\c1nc(-n2cc(-c3cccc(C)c3)cn2)nc(N2CCOCC2)c1C
InChIInChI=1S/C26H33N5O/c1-6-19(3)20(4)15-24-21(5)25(30-10-12-32-13-11-30)29-26(28-24)31-17-23(16-27-31)22-9-7-8-18(2)14-22/h7-9,14-17,19H,6,10-13H2,1-5H3/b20-15-
InChIKeyWVULVAWKZMUSRY-HKWRFOASSA-N
XLogP5.23
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[6-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-2-[4-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine 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

6-[(3E)-2-methylhepta-1,3-dien-4-yl]-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine
CID 166164813
2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyrimidin-4-ylfuro[3,2-d]pyrimidine
CID 166164425
N-[4-(dimethylamino)butyl]-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 166738424
N,N-dimethyl-2-[3-[2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]-1H-pyrazol-5-yl]ethanamine
CID 166738358
N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 166738328
N-ethyl-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-(3-oxomorpholin-4-yl)furo[3,2-d]pyrimidine-6-carboxamide
CID 166738324
ethane;[2-[4-(3-methoxyphenyl)pyrazol-1-yl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol
CID 168922531
9-ethyl-6-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)purine-8-carboxylic acid
CID 168920778
4-[2-[4-(3-methylphenyl)pyrazol-1-yl]-6-[(3E,5Z)-octa-3,5,7-trien-3-yl]furo[3,2-d]pyrimidin-4-yl]morpholin-3-one
CID 166164823
4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine
CID 166738469
methyl (2E)-2-[(2-chloro-5-methyl-6-morpholin-4-ylpyrimidin-4-yl)methylidene]-3-methylpentanoate
CID 166164653
[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol
CID 169032688

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-2-[4-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-2-[4-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine (CID 166164372) is 4-[6-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-2-[4-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-2-[4-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-2-[4-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine is CCC(C)/C(C)=C\c1nc(-n2cc(-c3cccc(C)c3)cn2)nc(N2CCOCC2)c1C.
What is the InChIKey of 4-[6-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-2-[4-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is WVULVAWKZMUSRY-HKWRFOASSA-N. The full InChI is InChI=1S/C26H33N5O/c1-6-19(3)20(4)15-24-21(5)25(30-10-12-32-13-11-30)29-26(28-24)31-17-23(16-27-31)22-9-7-8-18(2)14-22/h7-9,14-17,19H,6,10-13H2,1-5H3/b20-15-.
What are the key properties of 4-[6-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-2-[4-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine?
4-[6-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-2-[4-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 431.58 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-2-[4-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 166164372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).