N-[(Z)-[(2E)-2-benzylidenecyclohexylidene]amino]-4,6-dimethylpyrimidin-2-amine

C19H22N4 — CID 6036397

IUPACN-[(Z)-[(2E)-2-benzylidenecyclohexylidene]amino]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N/N=C2/CCCC/C2=C\c2ccccc2)n1
InChIInChI=1S/C19H22N4/c1-14-12-15(2)21-19(20-14)23-22-18-11-7-6-10-17(18)13-16-8-4-3-5-9-16/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,20,21,23)/b17-13+,22-18-
InChIKeyMPLQACKFDQFUJO-JOKCNHQFSA-N
MW306.41 g/mol
LogP4.52
Rot. Bonds3

About N-[(Z)-[(2E)-2-benzylidenecyclohexylidene]amino]-4,6-dimethylpyrimidin-2-amine

N-[(Z)-[(2E)-2-benzylidenecyclohexylidene]amino]-4,6-dimethylpyrimidin-2-amine (PubChem CID 6036397) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(Z)-[(2E)-2-benzylidenecyclohexylidene]amino]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(Z)-[(2E)-2-benzylidenecyclohexylidene]amino]-4,6-dimethylpyrimidin-2-amine
PubChem CID6036397
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC NameN-[(Z)-[(2E)-2-benzylidenecyclohexylidene]amino]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N/N=C2/CCCC/C2=C\c2ccccc2)n1
InChIInChI=1S/C19H22N4/c1-14-12-15(2)21-19(20-14)23-22-18-11-7-6-10-17(18)13-16-8-4-3-5-9-16/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,20,21,23)/b17-13+,22-18-
InChIKeyMPLQACKFDQFUJO-JOKCNHQFSA-N
XLogP4.52
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[(Z)-[(2E)-2-benzylidenecyclohexylidene]amino]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[(Z)-[(2E)-2-benzylidenecyclohexylidene]amino]-4,6-dimethylpyrimidin-2-amine (CID 6036397) is N-[(Z)-[(2E)-2-benzylidenecyclohexylidene]amino]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(Z)-[(2E)-2-benzylidenecyclohexylidene]amino]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[(Z)-[(2E)-2-benzylidenecyclohexylidene]amino]-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(N/N=C2/CCCC/C2=C\c2ccccc2)n1.
What is the InChIKey of N-[(Z)-[(2E)-2-benzylidenecyclohexylidene]amino]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is MPLQACKFDQFUJO-JOKCNHQFSA-N. The full InChI is InChI=1S/C19H22N4/c1-14-12-15(2)21-19(20-14)23-22-18-11-7-6-10-17(18)13-16-8-4-3-5-9-16/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,20,21,23)/b17-13+,22-18-.
What are the key properties of N-[(Z)-[(2E)-2-benzylidenecyclohexylidene]amino]-4,6-dimethylpyrimidin-2-amine?
N-[(Z)-[(2E)-2-benzylidenecyclohexylidene]amino]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 306.41 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(2E)-2-benzylidenecyclohexylidene]amino]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 6036397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).