N-[(2,4-dichlorophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine

C21H26Cl2N6 — CID 2853645

IUPACN-[(2,4-dichlorophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
SMILESClc1ccc(C=NNc2cc(N3CCCCC3)nc(N3CCCCC3)n2)c(Cl)c1
InChIInChI=1S/C21H26Cl2N6/c22-17-8-7-16(18(23)13-17)15-24-27-19-14-20(28-9-3-1-4-10-28)26-21(25-19)29-11-5-2-6-12-29/h7-8,13-15H,1-6,9-12H2,(H,25,26,27)
InChIKeyRAPFYZQGSFHFIZ-UHFFFAOYSA-N
MW433.39 g/mol
LogP5.21
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine

N-[(2,4-dichlorophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine (PubChem CID 2853645) has the molecular formula C21H26Cl2N6 and a molecular weight of 433.39 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
PubChem CID2853645
Molecular FormulaC21H26Cl2N6
Molecular Weight433.39 g/mol
Exact Mass432.16
IUPAC NameN-[(2,4-dichlorophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
SMILESClc1ccc(C=NNc2cc(N3CCCCC3)nc(N3CCCCC3)n2)c(Cl)c1
InChIInChI=1S/C21H26Cl2N6/c22-17-8-7-16(18(23)13-17)15-24-27-19-14-20(28-9-3-1-4-10-28)26-21(25-19)29-11-5-2-6-12-29/h7-8,13-15H,1-6,9-12H2,(H,25,26,27)
InChIKeyRAPFYZQGSFHFIZ-UHFFFAOYSA-N
XLogP5.21
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.39
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
CID 5340691
N-[(2-chlorophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
CID 2849982
4-[(E)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol
CID 135504388
2-[[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 2849890
3-[(E)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 5340802
N-[(E)-furan-2-ylmethylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
CID 5340113
N-[(3-methylphenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
CID 4679735
N-[(E)-benzylideneamino]-2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-amine
CID 172962795
N-[[4-(diethylamino)phenyl]methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
CID 3522387
[2-[[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenyl] benzenesulfonate
CID 3975745
4-[(Z)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 136690058
4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 135641493

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine (CID 2853645) is N-[(2,4-dichlorophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine is Clc1ccc(C=NNc2cc(N3CCCCC3)nc(N3CCCCC3)n2)c(Cl)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine?
The InChIKey is RAPFYZQGSFHFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N6/c22-17-8-7-16(18(23)13-17)15-24-27-19-14-20(28-9-3-1-4-10-28)26-21(25-19)29-11-5-2-6-12-29/h7-8,13-15H,1-6,9-12H2,(H,25,26,27).
What are the key properties of N-[(2,4-dichlorophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine?
N-[(2,4-dichlorophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine has a molecular weight of 433.39 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 2853645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).