4-N,6-N-dimethyl-4-N,6-N-bis[(E)-quinolin-2-ylmethylideneamino]pyrimidine-4,6-diamine

C26H22N8 — CID 177496979

IUPAC4-N,6-N-dimethyl-4-N,6-N-bis[(E)-quinolin-2-ylmethylideneamino]pyrimidine-4,6-diamine
SMILESCN(/N=C/c1ccc2ccccc2n1)c1cc(N(C)/N=C/c2ccc3ccccc3n2)ncn1
InChIInChI=1S/C26H22N8/c1-33(29-16-21-13-11-19-7-3-5-9-23(19)31-21)25-15-26(28-18-27-25)34(2)30-17-22-14-12-20-8-4-6-10-24(20)32-22/h3-18H,1-2H3/b29-16+,30-17+
InChIKeyPDYFNTIJBPHESM-RKMZGRCJSA-N
MW446.52 g/mol
LogP4.51
Rot. Bonds6

About 4-N,6-N-dimethyl-4-N,6-N-bis[(E)-quinolin-2-ylmethylideneamino]pyrimidine-4,6-diamine

4-N,6-N-dimethyl-4-N,6-N-bis[(E)-quinolin-2-ylmethylideneamino]pyrimidine-4,6-diamine (PubChem CID 177496979) has the molecular formula C26H22N8 and a molecular weight of 446.52 g/mol. Its IUPAC name is 4-N,6-N-dimethyl-4-N,6-N-bis[(E)-quinolin-2-ylmethylideneamino]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-dimethyl-4-N,6-N-bis[(E)-quinolin-2-ylmethylideneamino]pyrimidine-4,6-diamine
PubChem CID177496979
Molecular FormulaC26H22N8
Molecular Weight446.52 g/mol
Exact Mass446.20
IUPAC Name4-N,6-N-dimethyl-4-N,6-N-bis[(E)-quinolin-2-ylmethylideneamino]pyrimidine-4,6-diamine
SMILESCN(/N=C/c1ccc2ccccc2n1)c1cc(N(C)/N=C/c2ccc3ccccc3n2)ncn1
InChIInChI=1S/C26H22N8/c1-33(29-16-21-13-11-19-7-3-5-9-23(19)31-21)25-15-26(28-18-27-25)34(2)30-17-22-14-12-20-8-4-6-10-24(20)32-22/h3-18H,1-2H3/b29-16+,30-17+
InChIKeyPDYFNTIJBPHESM-RKMZGRCJSA-N
XLogP4.51
TPSA82.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 54.51
H-Bond Donors ≤ 50
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'}

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Related Compounds

4-N,6-N-dimethyl-4-N,6-N-bis[(E)-[6-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]methylideneamino]pyrimidine-4,6-diamine
CID 139183149
(Z)-1-quinolin-2-yl-N-[(Z)-quinolin-2-ylmethylideneamino]methanimine
CID 6299697
1-quinolin-2-yl-N-[2-(quinolin-2-ylmethylideneamino)ethyl]methanimine
CID 68976214
N-phenyl-1-quinolin-2-ylmethanimine
CID 13120185
N-anthracen-1-yl-1-quinolin-2-ylmethanimine
CID 134814032
CID 166625050
CID 166625050
3-methoxy-N-(quinolin-2-ylmethylideneamino)pyrazin-2-amine
CID 70237134
N-(2-methoxyphenyl)-1-quinolin-2-ylmethanimine
CID 1284720
N-cyclopentyl-1-quinolin-2-ylmethanimine
CID 142726970
quinoline-2-carbaldehyde;hydrate
CID 158547927
1-(3-methylphenyl)-3-[(E)-quinolin-2-ylmethylideneamino]thiourea
CID 46206773
N,N-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]aniline;hydrochloride
CID 6508810

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-dimethyl-4-N,6-N-bis[(E)-quinolin-2-ylmethylideneamino]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-dimethyl-4-N,6-N-bis[(E)-quinolin-2-ylmethylideneamino]pyrimidine-4,6-diamine (CID 177496979) is 4-N,6-N-dimethyl-4-N,6-N-bis[(E)-quinolin-2-ylmethylideneamino]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-dimethyl-4-N,6-N-bis[(E)-quinolin-2-ylmethylideneamino]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-dimethyl-4-N,6-N-bis[(E)-quinolin-2-ylmethylideneamino]pyrimidine-4,6-diamine is CN(/N=C/c1ccc2ccccc2n1)c1cc(N(C)/N=C/c2ccc3ccccc3n2)ncn1.
What is the InChIKey of 4-N,6-N-dimethyl-4-N,6-N-bis[(E)-quinolin-2-ylmethylideneamino]pyrimidine-4,6-diamine?
The InChIKey is PDYFNTIJBPHESM-RKMZGRCJSA-N. The full InChI is InChI=1S/C26H22N8/c1-33(29-16-21-13-11-19-7-3-5-9-23(19)31-21)25-15-26(28-18-27-25)34(2)30-17-22-14-12-20-8-4-6-10-24(20)32-22/h3-18H,1-2H3/b29-16+,30-17+.
What are the key properties of 4-N,6-N-dimethyl-4-N,6-N-bis[(E)-quinolin-2-ylmethylideneamino]pyrimidine-4,6-diamine?
4-N,6-N-dimethyl-4-N,6-N-bis[(E)-quinolin-2-ylmethylideneamino]pyrimidine-4,6-diamine has a molecular weight of 446.52 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dimethyl-4-N,6-N-bis[(E)-quinolin-2-ylmethylideneamino]pyrimidine-4,6-diamine is sourced from PubChem (CID 177496979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).