N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine

C19H22Cl2N6 — CID 5340691

IUPACN-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
SMILESClc1ccc(/C=N/Nc2cc(N3CCCC3)nc(N3CCCC3)n2)c(Cl)c1
InChIInChI=1S/C19H22Cl2N6/c20-15-6-5-14(16(21)11-15)13-22-25-17-12-18(26-7-1-2-8-26)24-19(23-17)27-9-3-4-10-27/h5-6,11-13H,1-4,7-10H2,(H,23,24,25)/b22-13+
InChIKeyORNQFNXYKGHUSS-LPYMAVHISA-N
MW405.33 g/mol
LogP4.43
Rot. Bonds5

About N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 5340691) has the molecular formula C19H22Cl2N6 and a molecular weight of 405.33 g/mol. Its IUPAC name is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
PubChem CID5340691
Molecular FormulaC19H22Cl2N6
Molecular Weight405.33 g/mol
Exact Mass404.13
IUPAC NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
SMILESClc1ccc(/C=N/Nc2cc(N3CCCC3)nc(N3CCCC3)n2)c(Cl)c1
InChIInChI=1S/C19H22Cl2N6/c20-15-6-5-14(16(21)11-15)13-22-25-17-12-18(26-7-1-2-8-26)24-19(23-17)27-9-3-4-10-27/h5-6,11-13H,1-4,7-10H2,(H,23,24,25)/b22-13+
InChIKeyORNQFNXYKGHUSS-LPYMAVHISA-N
XLogP4.43
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 54.43
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-[(2,4-dichlorophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
CID 2853645
N-[(2-chlorophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
CID 2849982
2-[[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 2849890
4-[(E)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol
CID 135504388
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
[2-[[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenyl] benzenesulfonate
CID 3975745
N-[[4-(diethylamino)phenyl]methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
CID 3522387
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-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine (CID 5340691) is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine is Clc1ccc(/C=N/Nc2cc(N3CCCC3)nc(N3CCCC3)n2)c(Cl)c1.
What is the InChIKey of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is ORNQFNXYKGHUSS-LPYMAVHISA-N. The full InChI is InChI=1S/C19H22Cl2N6/c20-15-6-5-14(16(21)11-15)13-22-25-17-12-18(26-7-1-2-8-26)24-19(23-17)27-9-3-4-10-27/h5-6,11-13H,1-4,7-10H2,(H,23,24,25)/b22-13+.
What are the key properties of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine?
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 405.33 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 5340691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).