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

C32H32N14 — CID 139183149

IUPAC4-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
SMILESCN(/N=C/c1cccc(/C=N/N(C)c2cc(N(C)/N=C/c3cccc(/C=N/N(C)c4ccccn4)n3)ncn2)n1)c1ccccn1
InChIInChI=1S/C32H32N14/c1-43(29-15-5-7-17-33-29)37-20-25-11-9-13-27(41-25)22-39-45(3)31-19-32(36-24-35-31)46(4)40-23-28-14-10-12-26(42-28)21-38-44(2)30-16-6-8-18-34-30/h5-24H,1-4H3/b37-20+,38-21+,39-22+,40-23+
InChIKeyDRZBPOKGBVYNGH-KQABUCNWSA-N
MW612.71 g/mol
LogP3.94
Rot. Bonds12

About 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

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 (PubChem CID 139183149) has the molecular formula C32H32N14 and a molecular weight of 612.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID139183149
Molecular FormulaC32H32N14
Molecular Weight612.71 g/mol
Exact Mass612.29
IUPAC Name4-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
SMILESCN(/N=C/c1cccc(/C=N/N(C)c2cc(N(C)/N=C/c3cccc(/C=N/N(C)c4ccccn4)n3)ncn2)n1)c1ccccn1
InChIInChI=1S/C32H32N14/c1-43(29-15-5-7-17-33-29)37-20-25-11-9-13-27(41-25)22-39-45(3)31-19-32(36-24-35-31)46(4)40-23-28-14-10-12-26(42-28)21-38-44(2)30-16-6-8-18-34-30/h5-24H,1-4H3/b37-20+,38-21+,39-22+,40-23+
InChIKeyDRZBPOKGBVYNGH-KQABUCNWSA-N
XLogP3.94
TPSA139.74 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.71
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(/N=C/c1cccc(/C=N/N(C)c2cc(N(C)/N=C/c3cccc(/C=N/N(C)c4ccccn4)n3)ncn2)n1)c1ccccn1.
What is the InChIKey of 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?
The InChIKey is DRZBPOKGBVYNGH-KQABUCNWSA-N. The full InChI is InChI=1S/C32H32N14/c1-43(29-15-5-7-17-33-29)37-20-25-11-9-13-27(41-25)22-39-45(3)31-19-32(36-24-35-31)46(4)40-23-28-14-10-12-26(42-28)21-38-44(2)30-16-6-8-18-34-30/h5-24H,1-4H3/b37-20+,38-21+,39-22+,40-23+.
What are the key properties of 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?
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 has a molecular weight of 612.71 g/mol, XLogP of 3.94, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139183149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).