N-[(Z)-[4-(2,2-difluoroethoxy)phenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine

C15H16F2N4O — CID 6163671

IUPACN-[(Z)-[4-(2,2-difluoroethoxy)phenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N/N=C\c2ccc(OCC(F)F)cc2)n1
InChIInChI=1S/C15H16F2N4O/c1-10-7-11(2)20-15(19-10)21-18-8-12-3-5-13(6-4-12)22-9-14(16)17/h3-8,14H,9H2,1-2H3,(H,19,20,21)/b18-8-
InChIKeyUIBABJNOIPQRSM-LSCVHKIXSA-N
MW306.32 g/mol
LogP3.18
Rot. Bonds6

About N-[(Z)-[4-(2,2-difluoroethoxy)phenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine

N-[(Z)-[4-(2,2-difluoroethoxy)phenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine (PubChem CID 6163671) has the molecular formula C15H16F2N4O and a molecular weight of 306.32 g/mol. Its IUPAC name is N-[(Z)-[4-(2,2-difluoroethoxy)phenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(Z)-[4-(2,2-difluoroethoxy)phenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
PubChem CID6163671
Molecular FormulaC15H16F2N4O
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC NameN-[(Z)-[4-(2,2-difluoroethoxy)phenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N/N=C\c2ccc(OCC(F)F)cc2)n1
InChIInChI=1S/C15H16F2N4O/c1-10-7-11(2)20-15(19-10)21-18-8-12-3-5-13(6-4-12)22-9-14(16)17/h3-8,14H,9H2,1-2H3,(H,19,20,21)/b18-8-
InChIKeyUIBABJNOIPQRSM-LSCVHKIXSA-N
XLogP3.18
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-[4-[[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenoxy]acetate
CID 3965917
2-[4-[[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenoxy]propanoic acid
CID 3665865
4,6-dimethyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-2-amine
CID 5149886
N-[(4-butoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine
CID 2842180
N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013570
4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135620435
2,6-dibromo-4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 136803392
(NE)-N-[[4-(2,2-difluoroethoxy)phenyl]methylidene]hydroxylamine
CID 50896716
4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]pyrimidin-2-amine
CID 1420807
4-N-(4-chlorophenyl)-2-N-[(E)-(4-methoxyphenyl)methylideneamino]-6-methylpyrimidine-2,4-diamine
CID 143789926
2-[4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetonitrile
CID 9013827
4,5-dimethyl-N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 110538404

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(2,2-difluoroethoxy)phenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[(Z)-[4-(2,2-difluoroethoxy)phenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine (CID 6163671) is N-[(Z)-[4-(2,2-difluoroethoxy)phenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(Z)-[4-(2,2-difluoroethoxy)phenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[(Z)-[4-(2,2-difluoroethoxy)phenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(N/N=C\c2ccc(OCC(F)F)cc2)n1.
What is the InChIKey of N-[(Z)-[4-(2,2-difluoroethoxy)phenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is UIBABJNOIPQRSM-LSCVHKIXSA-N. The full InChI is InChI=1S/C15H16F2N4O/c1-10-7-11(2)20-15(19-10)21-18-8-12-3-5-13(6-4-12)22-9-14(16)17/h3-8,14H,9H2,1-2H3,(H,19,20,21)/b18-8-.
What are the key properties of N-[(Z)-[4-(2,2-difluoroethoxy)phenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine?
N-[(Z)-[4-(2,2-difluoroethoxy)phenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 306.32 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(2,2-difluoroethoxy)phenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 6163671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).