N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine

C20H22FN7O — CID 126001855

IUPACN-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
SMILESCc1nn(-c2ccccc2)c(C)c1/C=N\Nc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C20H22FN7O/c1-14-17(15(2)28(26-14)16-6-4-3-5-7-16)12-23-25-20-22-13-18(21)19(24-20)27-8-10-29-11-9-27/h3-7,12-13H,8-11H2,1-2H3,(H,22,24,25)/b23-12-
InChIKeyBACQXPQKCQIKDN-FMCGGJTJSA-N
MW395.44 g/mol
LogP2.70
Rot. Bonds5

About N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine

N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 126001855) has the molecular formula C20H22FN7O and a molecular weight of 395.44 g/mol. Its IUPAC name is N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID126001855
Molecular FormulaC20H22FN7O
Molecular Weight395.44 g/mol
Exact Mass395.19
IUPAC NameN-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
SMILESCc1nn(-c2ccccc2)c(C)c1/C=N\Nc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C20H22FN7O/c1-14-17(15(2)28(26-14)16-6-4-3-5-7-16)12-23-25-20-22-13-18(21)19(24-20)27-8-10-29-11-9-27/h3-7,12-13H,8-11H2,1-2H3,(H,22,24,25)/b23-12-
InChIKeyBACQXPQKCQIKDN-FMCGGJTJSA-N
XLogP2.70
TPSA80.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 135684617
5-fluoro-N-[(Z)-(3-methyl-4-morpholin-4-ylphenyl)methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
CID 129106591
N-[(E)-[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 126071252
N-[(2-butoxynaphthalen-1-yl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 3797340
5-fluoro-4-morpholin-4-yl-N-[(Z)-(4-morpholin-4-yl-3-nitrosophenyl)methylideneamino]pyrimidin-2-amine
CID 118070379
N-[(2,7-diethoxynaphthalen-1-yl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 5005049
N-[[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 3111583
2,6-dibromo-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 3456586
N-[[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 4136118
N-[(Z)-[4-(2-chloro-6-methylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876846
N-[(E)-[5-(2-chloro-6-methyl-4-morpholin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876898
2-[4-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
CID 126221378

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine (CID 126001855) is N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine is Cc1nn(-c2ccccc2)c(C)c1/C=N\Nc1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is BACQXPQKCQIKDN-FMCGGJTJSA-N. The full InChI is InChI=1S/C20H22FN7O/c1-14-17(15(2)28(26-14)16-6-4-3-5-7-16)12-23-25-20-22-13-18(21)19(24-20)27-8-10-29-11-9-27/h3-7,12-13H,8-11H2,1-2H3,(H,22,24,25)/b23-12-.
What are the key properties of N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 395.44 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 126001855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).