N-[(3-methylphenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine

C22H30N6 — CID 4679735

IUPACN-[(3-methylphenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
SMILESCc1cccc(C=NNc2cc(N3CCCCC3)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C22H30N6/c1-18-9-8-10-19(15-18)17-23-26-20-16-21(27-11-4-2-5-12-27)25-22(24-20)28-13-6-3-7-14-28/h8-10,15-17H,2-7,11-14H2,1H3,(H,24,25,26)
InChIKeyLCGZXVBJSNULGU-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.21
Rot. Bonds5

About N-[(3-methylphenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine

N-[(3-methylphenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine (PubChem CID 4679735) has the molecular formula C22H30N6 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[(3-methylphenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
PubChem CID4679735
Molecular FormulaC22H30N6
Molecular Weight378.52 g/mol
Exact Mass378.25
IUPAC NameN-[(3-methylphenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
SMILESCc1cccc(C=NNc2cc(N3CCCCC3)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C22H30N6/c1-18-9-8-10-19(15-18)17-23-26-20-16-21(27-11-4-2-5-12-27)25-22(24-20)28-13-6-3-7-14-28/h8-10,15-17H,2-7,11-14H2,1H3,(H,24,25,26)
InChIKeyLCGZXVBJSNULGU-UHFFFAOYSA-N
XLogP4.21
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.21
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

3-[(E)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 5340802
N-[(E)-benzylideneamino]-2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-amine
CID 172962795
ethyl 3-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-piperidin-1-ylpyrimidin-2-yl]propanoate
CID 143341240
N-[(E)-(3-methylphenyl)methylideneamino]-6-piperidin-1-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-amine
CID 89163617
N-[[4-(diethylamino)phenyl]methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
CID 3522387
N-[(2-chlorophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
CID 2849982
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
ethane;N-[(E)-(3-methylphenyl)methylideneamino]-2-piperidin-1-ylquinazolin-4-amine
CID 143341789
N-[(E)-furan-2-ylmethylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
CID 5340113
N-[(Z)-(4-methylphenyl)methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
CID 6252798
2-[[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 2849890

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[(3-methylphenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine (CID 4679735) is N-[(3-methylphenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(3-methylphenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(3-methylphenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine is Cc1cccc(C=NNc2cc(N3CCCCC3)nc(N3CCCCC3)n2)c1.
What is the InChIKey of N-[(3-methylphenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine?
The InChIKey is LCGZXVBJSNULGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6/c1-18-9-8-10-19(15-18)17-23-26-20-16-21(27-11-4-2-5-12-27)25-22(24-20)28-13-6-3-7-14-28/h8-10,15-17H,2-7,11-14H2,1H3,(H,24,25,26).
What are the key properties of N-[(3-methylphenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine?
N-[(3-methylphenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine has a molecular weight of 378.52 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 4679735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).